CID 5274510

5-[4-(dimethylamino)butyl]-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C24H25N5O3
SMILES
CN(C)CCCCN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-])C#N
InChI
InChI=1S/C24H25N5O3/c1-26(2)13-5-6-14-27-21-8-4-3-7-20(21)23-22(27)15-17(16-25)24(30)28(23)18-9-11-19(12-10-18)29(31)32/h3-4,7-12,15,22-23H,5-6,13-14H2,1-2H3
InChIKey
QKSQQEDWVJYZST-UHFFFAOYSA-N
Compound name
5-[4-(dimethylamino)butyl]-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.19574 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20302 209.7
[M+Na]+ 454.18496 216.5
[M-H]- 430.18846 213.5
[M+NH4]+ 449.22956 217.8
[M+K]+ 470.15890 204.4
[M+H-H2O]+ 414.19300 196.4
[M+HCOO]- 476.19394 223.6
[M+CH3COO]- 490.20959 238.9
[M+Na-2H]- 452.17041 210.2
[M]+ 431.19519 204.2
[M]- 431.19629 204.2
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.