CID 47195

64058-91-9

Structural Information

Molecular Formula
C9H16I2N2O2
SMILES
C(CCNC(=O)CI)CCNC(=O)CI
InChI
InChI=1S/C9H16I2N2O2/c10-6-8(14)12-4-2-1-3-5-13-9(15)7-11/h1-7H2,(H,12,14)(H,13,15)
InChIKey
XKKQXRACUULROS-UHFFFAOYSA-N
Compound name
2-iodo-N-[5-[(2-iodoacetyl)amino]pentyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.9301 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.93738 170.9
[M+Na]+ 460.91932 162.5
[M+NH4]+ 455.96392 167.6
[M+K]+ 476.89326 164.6
[M-H]- 436.92282 158.2
[M+Na-2H]- 458.90477 151.2
[M]+ 437.92955 163.7
[M]- 437.93065 163.7
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.