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 177.5
[M+Na]+ 480.92442 168.1
[M-H]- 456.92792 169.5
[M+NH4]+ 475.96902 184.1
[M+K]+ 496.89836 178.2
[M+H-H2O]+ 440.93246 164.1
[M+HCOO]- 502.93340 189.9
[M+CH3COO]- 516.94905 220.2
[M+Na-2H]- 478.90987 162.3
[M]+ 457.93465 173.4
[M]- 457.93575 173.4
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.