CID 386719

Nsc679261

Structural Information

Molecular Formula
C23H23ClN2O3
SMILES
CCOC(=O)CCC1=C(NC2=C(C1=O)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)Cl)C)C
InChI
InChI=1S/C23H23ClN2O3/c1-5-29-18(27)9-7-15-13(4)25-22-11(2)19-16-10-14(24)6-8-17(16)26-21(19)12(3)20(22)23(15)28/h6,8,10,26H,5,7,9H2,1-4H3,(H,25,28)
InChIKey
KGDYUZVBRFHQHP-UHFFFAOYSA-N
Compound name
ethyl 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanoate
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 200.2
[M+Na]+ 433.12892 214.0
[M-H]- 409.13242 203.1
[M+NH4]+ 428.17352 214.0
[M+K]+ 449.10286 204.9
[M+H-H2O]+ 393.13696 193.0
[M+HCOO]- 455.13790 212.1
[M+CH3COO]- 469.15355 210.3
[M+Na-2H]- 431.11437 200.8
[M]+ 410.13915 209.6
[M]- 410.14025 209.6
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.