CID 16773942

N-(5-amino-2-methylphenyl)-2-iodobenzamide

Structural Information

Molecular Formula
C14H13IN2O
SMILES
CC1=C(C=C(C=C1)N)NC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C14H13IN2O/c1-9-6-7-10(16)8-13(9)17-14(18)11-4-2-3-5-12(11)15/h2-8H,16H2,1H3,(H,17,18)
InChIKey
KQZGIMVVOASONK-UHFFFAOYSA-N
Compound name
N-(5-amino-2-methylphenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.00726 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.01454 170.3
[M+Na]+ 374.99648 170.5
[M-H]- 350.99998 169.6
[M+NH4]+ 370.04108 182.0
[M+K]+ 390.97042 172.3
[M+H-H2O]+ 335.00452 158.9
[M+HCOO]- 397.00546 189.6
[M+CH3COO]- 411.02111 206.5
[M+Na-2H]- 372.98193 161.6
[M]+ 352.00671 165.5
[M]- 352.00781 165.5
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.