CID 16279

Acetanilide, 4'-bis(2-iodoethyl)amino-

Structural Information

Molecular Formula
C12H16I2N2O
SMILES
CC(=O)NC1=CC=C(C=C1)N(CCI)CCI
InChI
InChI=1S/C12H16I2N2O/c1-10(17)15-11-2-4-12(5-3-11)16(8-6-13)9-7-14/h2-5H,6-9H2,1H3,(H,15,17)
InChIKey
HNIFPOLBBBMRDY-UHFFFAOYSA-N
Compound name
N-[4-[bis(2-iodoethyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

457.9352 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.94248 176.4
[M+Na]+ 480.92442 170.6
[M+NH4]+ 475.96902 174.6
[M+K]+ 496.89836 171.4
[M-H]- 456.92792 166.8
[M+Na-2H]- 478.90987 159.8
[M]+ 457.93465 170.7
[M]- 457.93575 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.