10-methoxy raubasinique acide hydrazide (C21H26N4O3)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)NN)NC5=C4C=C(C=C5)OC

InChI

InChI=1S/C21H26N4O3/c1-11-16-9-25-6-5-13-15-7-12(27-2)3-4-18(15)23-20(13)19(25)8-14(16)17(10-28-11)21(26)24-22/h3-4,7,10-11,14,16,19,23H,5-6,8-9,22H2,1-2H3,(H,24,26)/t11-,14-,16+,19-/m0/s1

InChIKey

YGBQXBYXUXXTLD-DIHAYXGESA-N

Compound name

(1S,15R,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carbohydrazide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	383.207776	187.9
[M+Na]+	405.189718	193.9
[M-H]-	381.193224	190.5
[M+NH4]+	400.234323	199.9
[M+K]+	421.163658	189.0
[M+H-H2O]+	365.197760	179.0
[M+HCOO]-	427.198701	198.0
[M+CH3COO]-	441.214351	195.5
[M+Na-2H]-	403.175166	190.1
[M]+	382.19995142	184.9
[M]-	382.20104858	184.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.207776

187.9

[M+Na]+

405.189718

193.9

[M-H]-

381.193224

190.5

[M+NH4]+

400.234323

199.9

[M+K]+

421.163658

189.0

[M+H-H2O]+

365.197760

179.0

[M+HCOO]-

427.198701

198.0

[M+CH3COO]-

441.214351

195.5

[M+Na-2H]-

403.175166

190.1

[M]+

382.19995142

184.9

[M]-

382.20104858

184.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

10-methoxy raubasinique acide hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe