CID 5274561

Schembl13505286

Structural Information

Molecular Formula
C19H15N3O
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C#N
InChI
InChI=1S/C19H15N3O/c1-21-16-5-3-2-4-15(16)19-17(21)10-11-18(23)22(19)14-8-6-13(12-20)7-9-14/h2-11,17,19H,1H3
InChIKey
HXCIBHVTPTYTAN-UHFFFAOYSA-N
Compound name
4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.12152 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12880 173.8
[M+Na]+ 324.11074 186.0
[M-H]- 300.11424 177.7
[M+NH4]+ 319.15534 188.1
[M+K]+ 340.08468 175.7
[M+H-H2O]+ 284.11878 158.1
[M+HCOO]- 346.11972 187.9
[M+CH3COO]- 360.13537 183.1
[M+Na-2H]- 322.09619 175.6
[M]+ 301.12097 168.0
[M]- 301.12207 168.0
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

patents stripe