CID 51922

73623-34-4

Structural Information

Molecular Formula
C12H13I2N3O3
SMILES
CC(=O)NC1=C(C=C(C=C1)NC(=O)CI)NC(=O)CI
InChI
InChI=1S/C12H13I2N3O3/c1-7(18)15-9-3-2-8(16-11(19)5-13)4-10(9)17-12(20)6-14/h2-4H,5-6H2,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKey
QZCXKYQKSALCMQ-UHFFFAOYSA-N
Compound name
N-[4-acetamido-3-[(2-iodoacetyl)amino]phenyl]-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.90463 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.91191 189.6
[M+Na]+ 523.89385 180.0
[M-H]- 499.89735 181.2
[M+NH4]+ 518.93845 194.0
[M+K]+ 539.86779 190.0
[M+H-H2O]+ 483.90189 176.0
[M+HCOO]- 545.90283 201.3
[M+CH3COO]- 559.91848 225.0
[M+Na-2H]- 521.87930 172.4
[M]+ 500.90408 184.1
[M]- 500.90518 184.1
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.