CID 330469

85619-11-0

Structural Information

Molecular Formula
C25H19N3
SMILES
CC1=C2C=CN=C(C2=C(C3=C1N(C4=CC=CC=C43)CC5=CC=CC=C5)C)C#N
InChI
InChI=1S/C25H19N3/c1-16-19-12-13-27-21(14-26)23(19)17(2)24-20-10-6-7-11-22(20)28(25(16)24)15-18-8-4-3-5-9-18/h3-13H,15H2,1-2H3
InChIKey
ZIJDDIPODSODGY-UHFFFAOYSA-N
Compound name
6-benzyl-5,11-dimethylpyrido[4,3-b]carbazole-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1579 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16518 197.4
[M+Na]+ 384.14712 212.5
[M-H]- 360.15062 202.3
[M+NH4]+ 379.19172 210.4
[M+K]+ 400.12106 198.8
[M+H-H2O]+ 344.15516 180.5
[M+HCOO]- 406.15610 213.5
[M+CH3COO]- 420.17175 206.3
[M+Na-2H]- 382.13257 200.5
[M]+ 361.15735 196.4
[M]- 361.15845 196.4
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.