Tetrahydroalstonique acide hydrazide (C20H24N4O2)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)NN)NC5=CC=CC=C45

InChI

InChI=1S/C20H24N4O2/c1-11-15-9-24-7-6-13-12-4-2-3-5-17(12)22-19(13)18(24)8-14(15)16(10-26-11)20(25)23-21/h2-5,10-11,14-15,18,22H,6-9,21H2,1H3,(H,23,25)/t11-,14-,15-,18-/m0/s1

InChIKey

ZHKGKISHASKDEL-HEWDHTHVSA-N

Compound name

(1S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-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]+	353.197176	179.2
[M+Na]+	375.179118	185.2
[M-H]-	351.182624	181.8
[M+NH4]+	370.223723	192.4
[M+K]+	391.153058	179.6
[M+H-H2O]+	335.187160	170.5
[M+HCOO]-	397.188101	189.7
[M+CH3COO]-	411.203751	187.2
[M+Na-2H]-	373.164566	182.5
[M]+	352.18935142	174.2
[M]-	352.19044858	174.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

353.197176

179.2

[M+Na]+

375.179118

185.2

[M-H]-

351.182624

181.8

[M+NH4]+

370.223723

192.4

[M+K]+

391.153058

179.6

[M+H-H2O]+

335.187160

170.5

[M+HCOO]-

397.188101

189.7

[M+CH3COO]-

411.203751

187.2

[M+Na-2H]-

373.164566

182.5

[M]+

352.18935142

174.2

[M]-

352.19044858

174.2

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

Tetrahydroalstonique acide hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe