CID 330537

Nsc319474

Structural Information

Molecular Formula
C18H13N3
SMILES
CC1=C2C=CN=C(C2=C(C3=C1NC4=CC=CC=C43)C)C#N
InChI
InChI=1S/C18H13N3/c1-10-12-7-8-20-15(9-19)16(12)11(2)17-13-5-3-4-6-14(13)21-18(10)17/h3-8,21H,1-2H3
InChIKey
YIEMZXAIUNCXMR-UHFFFAOYSA-N
Compound name
5,11-dimethyl-6H-pyrido[4,3-b]carbazole-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.11096 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11824 169.6
[M+Na]+ 294.10018 185.3
[M-H]- 270.10368 171.6
[M+NH4]+ 289.14478 186.1
[M+K]+ 310.07412 173.7
[M+H-H2O]+ 254.10822 155.2
[M+HCOO]- 316.10916 186.0
[M+CH3COO]- 330.12481 180.2
[M+Na-2H]- 292.08563 175.2
[M]+ 271.11041 167.5
[M]- 271.11151 167.5
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.