CID 5274516

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

Structural Information

Molecular Formula
C18H12BrN3O
SMILES
C1=CC=C2C(=C1)C3C(N2)C=C(C(=O)N3C4=CC=C(C=C4)Br)C#N
InChI
InChI=1S/C18H12BrN3O/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
HXEKKLDSVKNRQO-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-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

365.01636 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.02364 180.0
[M+Na]+ 388.00558 194.4
[M-H]- 364.00908 184.0
[M+NH4]+ 383.05018 194.7
[M+K]+ 403.97952 177.4
[M+H-H2O]+ 348.01362 171.4
[M+HCOO]- 410.01456 193.4
[M+CH3COO]- 424.03021 190.1
[M+Na-2H]- 385.99103 182.7
[M]+ 365.01581 189.4
[M]- 365.01691 189.4
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.