CID 5274529

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

Structural Information

Molecular Formula
C26H25N5O
SMILES
C1CCN(CC1)CCN2C3C=C(C(=O)N(C3C4=CC=CC=C42)C5=CC=C(C=C5)C#N)C#N
InChI
InChI=1S/C26H25N5O/c27-17-19-8-10-21(11-9-19)31-25-22-6-2-3-7-23(22)30(15-14-29-12-4-1-5-13-29)24(25)16-20(18-28)26(31)32/h2-3,6-11,16,24-25H,1,4-5,12-15H2
InChIKey
YLWRAUXKNGLDBH-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)-2-oxo-5-(2-piperidin-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

423.2059 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.21318 197.2
[M+Na]+ 446.19512 206.5
[M-H]- 422.19862 198.6
[M+NH4]+ 441.23972 202.2
[M+K]+ 462.16906 192.8
[M+H-H2O]+ 406.20316 177.4
[M+HCOO]- 468.20410 200.6
[M+CH3COO]- 482.21975 199.6
[M+Na-2H]- 444.18057 193.5
[M]+ 423.20535 185.3
[M]- 423.20645 185.3
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.