CID 5274525

1-(4-cyanophenyl)-2-oxo-5-(2-pyrrolidin-1-ylethyl)-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C25H23N5O
SMILES
C1CCN(C1)CCN2C3C=C(C(=O)N(C3C4=CC=CC=C42)C5=CC=C(C=C5)C#N)C#N
InChI
InChI=1S/C25H23N5O/c26-16-18-7-9-20(10-8-18)30-24-21-5-1-2-6-22(21)29(14-13-28-11-3-4-12-28)23(24)15-19(17-27)25(30)31/h1-2,5-10,15,23-24H,3-4,11-14H2
InChIKey
XKWDJQRTDAHMDK-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)-2-oxo-5-(2-pyrrolidin-1-ylethyl)-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.19025 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.19753 195.1
[M+Na]+ 432.17947 205.3
[M-H]- 408.18297 197.1
[M+NH4]+ 427.22407 201.9
[M+K]+ 448.15341 191.9
[M+H-H2O]+ 392.18751 175.8
[M+HCOO]- 454.18845 200.2
[M+CH3COO]- 468.20410 198.4
[M+Na-2H]- 430.16492 190.4
[M]+ 409.18970 184.7
[M]- 409.19080 184.7
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.