CID 5274527

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

Structural Information

Molecular Formula
C22H16N4O
SMILES
C=CCN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C#N)C#N
InChI
InChI=1S/C22H16N4O/c1-2-11-25-19-6-4-3-5-18(19)21-20(25)12-16(14-24)22(27)26(21)17-9-7-15(13-23)8-10-17/h2-10,12,20-21H,1,11H2
InChIKey
HPXCNCWDCMSBMK-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)-2-oxo-5-prop-2-enyl-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13242 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13970 189.8
[M+Na]+ 375.12164 201.5
[M-H]- 351.12514 192.1
[M+NH4]+ 370.16624 198.5
[M+K]+ 391.09558 189.4
[M+H-H2O]+ 335.12968 171.9
[M+HCOO]- 397.13062 197.3
[M+CH3COO]- 411.14627 194.5
[M+Na-2H]- 373.10709 187.8
[M]+ 352.13187 180.9
[M]- 352.13297 180.9
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.