CID 16773112

N-(2-aminophenyl)-2-iodobenzamide

Structural Information

Molecular Formula
C13H11IN2O
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2N)I
InChI
InChI=1S/C13H11IN2O/c14-10-6-2-1-5-9(10)13(17)16-12-8-4-3-7-11(12)15/h1-8H,15H2,(H,16,17)
InChIKey
PSZZIJSRFOGCAG-UHFFFAOYSA-N
Compound name
N-(2-aminophenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.9916 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.99888 166.0
[M+Na]+ 360.98082 165.7
[M-H]- 336.98432 165.0
[M+NH4]+ 356.02542 177.9
[M+K]+ 376.95476 167.6
[M+H-H2O]+ 320.98886 154.5
[M+HCOO]- 382.98980 185.7
[M+CH3COO]- 397.00545 202.5
[M+Na-2H]- 358.96627 158.5
[M]+ 337.99105 160.4
[M]- 337.99215 160.4
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

patents stripe