CID 5274485

2-[3-cyano-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-5-yl]-n-methyl-n-(2-morpholinoethyl)acetamide

Structural Information

Molecular Formula
C27H28N6O5
SMILES
CN(CCN1CCOCC1)C(=O)CN2C3C=C(C(=O)N(C3C4=CC=CC=C42)C5=CC=C(C=C5)[N+](=O)[O-])C#N
InChI
InChI=1S/C27H28N6O5/c1-29(10-11-30-12-14-38-15-13-30)25(34)18-31-23-5-3-2-4-22(23)26-24(31)16-19(17-28)27(35)32(26)20-6-8-21(9-7-20)33(36)37/h2-9,16,24,26H,10-15,18H2,1H3
InChIKey
FHASCWAEKZTSAW-UHFFFAOYSA-N
Compound name
2-[3-cyano-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-5-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.2121 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.21938 223.1
[M+Na]+ 539.20132 226.2
[M-H]- 515.20482 227.1
[M+NH4]+ 534.24592 224.1
[M+K]+ 555.17526 215.2
[M+H-H2O]+ 499.20936 207.7
[M+HCOO]- 561.21030 230.5
[M+CH3COO]- 575.22595 250.3
[M+Na-2H]- 537.18677 222.1
[M]+ 516.21155 214.2
[M]- 516.21265 214.2
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.