PubChemLite - Jh-viii-157-02 (C28H27N5O2)

Structural Information

Molecular Formula

SMILES

CCC1=CC2=C(C=C1C3=CN(N=C3)CC(=O)N(C)C)C(C4=C(C2=O)C5=C(N4)C=C(C=C5)C#N)(C)C

InChI

InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3

InChIKey

IDGNCVHQDDOPND-UHFFFAOYSA-N

Compound name

2-[4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]-N,N-dimethylacetamide

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]+	466.22374	214.1
[M+Na]+	488.20568	227.2
[M+NH4]+	483.25028	218.1
[M+K]+	504.17962	218.0
[M-H]-	464.20918	210.1
[M+Na-2H]-	486.19113	215.5
[M]+	465.21591	214.2
[M]-	465.21701	214.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.22374

214.1

[M+Na]+

488.20568

227.2

[M+NH4]+

483.25028

218.1

[M+K]+

504.17962

218.0

[M-H]-

464.20918

210.1

[M+Na-2H]-

486.19113

215.5

[M]+

465.21591

214.2

[M]-

465.21701

214.2

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

Jh-viii-157-02

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe