CID 499468

Nsc679260

Structural Information

Molecular Formula
C23H23ClN2O3
SMILES
CCOC(=O)CCCC1=CC(=O)C2=C(N1)C(=C3C4=C(C=CC(=C4)Cl)NC3=C2C)C
InChI
InChI=1S/C23H23ClN2O3/c1-4-29-19(28)7-5-6-15-11-18(27)21-13(3)22-20(12(2)23(21)25-15)16-10-14(24)8-9-17(16)26-22/h8-11,26H,4-7H2,1-3H3,(H,25,27)
InChIKey
PVNWURSWZWKKQF-UHFFFAOYSA-N
Compound name
ethyl 4-(9-chloro-5,11-dimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-2-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1397 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.14698 199.8
[M+Na]+ 433.12892 212.6
[M-H]- 409.13242 202.2
[M+NH4]+ 428.17352 213.2
[M+K]+ 449.10286 203.5
[M+H-H2O]+ 393.13696 192.2
[M+HCOO]- 455.13790 211.7
[M+CH3COO]- 469.15355 209.5
[M+Na-2H]- 431.11437 201.0
[M]+ 410.13915 208.7
[M]- 410.14025 208.7
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.