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]+ 302.128796 173.8
[M+Na]+ 324.110738 186.0
[M-H]- 300.114244 177.7
[M+NH4]+ 319.155343 188.1
[M+K]+ 340.084678 175.7
[M+H-H2O]+ 284.118780 158.1
[M+HCOO]- 346.119721 187.9
[M+CH3COO]- 360.135371 183.1
[M+Na-2H]- 322.096186 175.6
[M]+ 301.12097142 168.0
[M]- 301.12206858 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