PubChemLite - Oc-350 (C22H28N4O4)

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(=C(C=C45)OC)OC

InChI

InChI=1S/C22H28N4O4/c1-11-15-9-26-5-4-12-14-7-19(28-2)20(29-3)8-17(14)24-21(12)18(26)6-13(15)16(10-30-11)22(27)25-23/h7-8,10-11,13,15,18,24H,4-6,9,23H2,1-3H3,(H,25,27)/t11-,13-,15-,18+/m0/s1

InChIKey

VZOCRKQLEHVGKU-MCTKYDIJSA-N

Compound name

(1R,15S,16S,20S)-6,7-dimethoxy-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]+	413.21834	196.3
[M+Na]+	435.20028	202.3
[M-H]-	411.20378	199.1
[M+NH4]+	430.24488	207.2
[M+K]+	451.17422	198.1
[M+H-H2O]+	395.20832	187.4
[M+HCOO]-	457.20926	206.0
[M+CH3COO]-	471.22491	203.5
[M+Na-2H]-	433.18573	197.5
[M]+	412.21051	195.4
[M]-	412.21161	195.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.21834

196.3

[M+Na]+

435.20028

202.3

[M-H]-

411.20378

199.1

[M+NH4]+

430.24488

207.2

[M+K]+

451.17422

198.1

[M+H-H2O]+

395.20832

187.4

[M+HCOO]-

457.20926

206.0

[M+CH3COO]-

471.22491

203.5

[M+Na-2H]-

433.18573

197.5

[M]+

412.21051

195.4

[M]-

412.21161

195.4

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

Oc-350

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe