CID 330922

85619-29-0

Structural Information

Molecular Formula
C25H21N3O
SMILES
CC1=C2C=CN=C(C2=C(C3=C1N(C4=CC=CC=C43)CC5=CC=CC=C5)C)C(=O)N
InChI
InChI=1S/C25H21N3O/c1-15-18-12-13-27-23(25(26)29)21(18)16(2)22-19-10-6-7-11-20(19)28(24(15)22)14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H2,26,29)
InChIKey
VODKCENRSZZLTO-UHFFFAOYSA-N
Compound name
6-benzyl-5,11-dimethylpyrido[4,3-b]carbazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.16846 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17574 195.3
[M+Na]+ 402.15768 206.9
[M-H]- 378.16118 203.0
[M+NH4]+ 397.20228 208.9
[M+K]+ 418.13162 198.3
[M+H-H2O]+ 362.16572 184.9
[M+HCOO]- 424.16666 215.1
[M+CH3COO]- 438.18231 205.7
[M+Na-2H]- 400.14313 199.0
[M]+ 379.16791 199.4
[M]- 379.16901 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.