CID 15545

N,n'-ethylenebis((bis(2-chloroethyl)amino)acetamide) dihydrochloride

Structural Information

Molecular Formula
C14H26Cl4N4O2
SMILES
C(CNC(=O)CN(CCCl)CCCl)NC(=O)CN(CCCl)CCCl
InChI
InChI=1S/C14H26Cl4N4O2/c15-1-7-21(8-2-16)11-13(23)19-5-6-20-14(24)12-22(9-3-17)10-4-18/h1-12H2,(H,19,23)(H,20,24)
InChIKey
VGDGNOPZNVOOSG-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-N-[2-[[2-[bis(2-chloroethyl)amino]acetyl]amino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.081 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.08828 200.5
[M+Na]+ 445.07022 202.5
[M-H]- 421.07372 199.1
[M+NH4]+ 440.11482 211.8
[M+K]+ 461.04416 198.2
[M+H-H2O]+ 405.07826 196.2
[M+HCOO]- 467.07920 205.5
[M+CH3COO]- 481.09485 235.9
[M+Na-2H]- 443.05567 196.8
[M]+ 422.08045 206.2
[M]- 422.08155 206.2
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.