CID 499466

Nsc679259

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
CCCC1=CC(=O)C2=C(N1)C(=C3C4=C(C=CC(=C4)Cl)NC3=C2C)C
InChI
InChI=1S/C20H19ClN2O/c1-4-5-13-9-16(24)18-11(3)19-17(10(2)20(18)22-13)14-8-12(21)6-7-15(14)23-19/h6-9,23H,4-5H2,1-3H3,(H,22,24)
InChIKey
NWJPCOJKMMBFFE-UHFFFAOYSA-N
Compound name
9-chloro-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1186 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 181.4
[M+Na]+ 361.10782 196.3
[M-H]- 337.11132 184.2
[M+NH4]+ 356.15242 198.2
[M+K]+ 377.08176 186.1
[M+H-H2O]+ 321.11586 174.4
[M+HCOO]- 383.11680 194.9
[M+CH3COO]- 397.13245 192.9
[M+Na-2H]- 359.09327 185.0
[M]+ 338.11805 187.9
[M]- 338.11915 187.9
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.