CID 5274523

1-(4-cyanophenyl)-2-oxo-5,9b-dihydro-4ah-pyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C19H12N4O
SMILES
C1=CC=C2C(=C1)C3C(N2)C=C(C(=O)N3C4=CC=C(C=C4)C#N)C#N
InChI
InChI=1S/C19H12N4O/c20-10-12-5-7-14(8-6-12)23-18-15-3-1-2-4-16(15)22-17(18)9-13(11-21)19(23)24/h1-9,17-18,22H
InChIKey
JOXYXZWUFADKBL-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)-2-oxo-5,9b-dihydro-4aH-pyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1011 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10838 181.8
[M+Na]+ 335.09032 193.6
[M-H]- 311.09382 183.4
[M+NH4]+ 330.13492 191.1
[M+K]+ 351.06426 181.8
[M+H-H2O]+ 295.09836 164.4
[M+HCOO]- 357.09930 189.0
[M+CH3COO]- 371.11495 186.8
[M+Na-2H]- 333.07577 181.1
[M]+ 312.10055 171.5
[M]- 312.10165 171.5
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.