CID 5274515

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

Structural Information

Molecular Formula
C18H12FN3O
SMILES
C1=CC=C2C(=C1)C3C(N2)C=C(C(=O)N3C4=CC=C(C=C4)F)C#N
InChI
InChI=1S/C18H12FN3O/c19-12-5-7-13(8-6-12)22-17-14-3-1-2-4-15(14)21-16(17)9-11(10-20)18(22)23/h1-9,16-17,21H
InChIKey
LYNLUBYBBYKCFG-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-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

305.09644 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10372 172.0
[M+Na]+ 328.08566 184.2
[M-H]- 304.08916 173.6
[M+NH4]+ 323.13026 185.4
[M+K]+ 344.05960 173.1
[M+H-H2O]+ 288.09370 156.0
[M+HCOO]- 350.09464 184.2
[M+CH3COO]- 364.11029 180.6
[M+Na-2H]- 326.07111 173.5
[M]+ 305.09589 163.4
[M]- 305.09699 163.4
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.