CID 6400711

18237-80-4

Structural Information

Molecular Formula
C13H17Cl2N3O2
SMILES
CC(=O)C(=NC1=CC=C(C=C1)N(CCCl)CCCl)NO
InChI
InChI=1S/C13H17Cl2N3O2/c1-10(19)13(17-20)16-11-2-4-12(5-3-11)18(8-6-14)9-7-15/h2-5,20H,6-9H2,1H3,(H,16,17)
InChIKey
VSBAFNAFXLWWNI-UHFFFAOYSA-N
Compound name
N'-[4-[bis(2-chloroethyl)amino]phenyl]-N-hydroxy-2-oxopropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0698 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07708 172.6
[M+Na]+ 340.05902 178.1
[M-H]- 316.06252 176.5
[M+NH4]+ 335.10362 188.0
[M+K]+ 356.03296 173.9
[M+H-H2O]+ 300.06706 166.8
[M+HCOO]- 362.06800 188.8
[M+CH3COO]- 376.08365 213.5
[M+Na-2H]- 338.04447 174.3
[M]+ 317.06925 176.8
[M]- 317.07035 176.8
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.