CID 5274558

4-(2-oxo-5,9b-dihydro-4ah-pyrido[3,2-b]indol-1-yl)benzonitrile

Structural Information

Molecular Formula
C18H13N3O
SMILES
C1=CC=C2C(=C1)C3C(N2)C=CC(=O)N3C4=CC=C(C=C4)C#N
InChI
InChI=1S/C18H13N3O/c19-11-12-5-7-13(8-6-12)21-17(22)10-9-16-18(21)14-3-1-2-4-15(14)20-16/h1-10,16,18,20H
InChIKey
VTDOPRXOYYMUDR-UHFFFAOYSA-N
Compound name
4-(2-oxo-5,9b-dihydro-4aH-pyrido[3,2-b]indol-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.10587 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11315 170.2
[M+Na]+ 310.09509 181.7
[M-H]- 286.09859 172.8
[M+NH4]+ 305.13969 184.2
[M+K]+ 326.06903 170.9
[M+H-H2O]+ 270.10313 154.9
[M+HCOO]- 332.10407 183.4
[M+CH3COO]- 346.11972 179.1
[M+Na-2H]- 308.08054 172.9
[M]+ 287.10532 162.2
[M]- 287.10642 162.2
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.