CID 241648

N,n'-bis(3-chloropropionyl)ethylenediamine

Structural Information

Molecular Formula
C8H14Cl2N2O2
SMILES
C(CCl)C(=O)NCCNC(=O)CCCl
InChI
InChI=1S/C8H14Cl2N2O2/c9-3-1-7(13)11-5-6-12-8(14)2-4-10/h1-6H2,(H,11,13)(H,12,14)
InChIKey
ZVFBYHDYEGTZOW-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-(3-chloropropanoylamino)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

240.04323 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05051 152.4
[M+Na]+ 263.03245 158.4
[M-H]- 239.03595 151.8
[M+NH4]+ 258.07705 170.6
[M+K]+ 279.00639 154.3
[M+H-H2O]+ 223.04049 148.6
[M+HCOO]- 285.04143 167.1
[M+CH3COO]- 299.05708 193.8
[M+Na-2H]- 261.01790 155.1
[M]+ 240.04268 155.6
[M]- 240.04378 155.6
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

patents stripe