CID 135583280

N,n-bis(2-chloroethyl)pyruvamidoxime 2-phenylhydrazone monohydrochloride

Structural Information

Molecular Formula
C13H18Cl2N4O
SMILES
C/C(=N\NC1=CC=CC=C1)/C(=N/O)/N(CCCl)CCCl
InChI
InChI=1S/C13H18Cl2N4O/c1-11(16-17-12-5-3-2-4-6-12)13(18-20)19(9-7-14)10-8-15/h2-6,17,20H,7-10H2,1H3/b16-11+,18-13-
InChIKey
OEILJBCFWRFFSR-RIUVRQHDSA-N
Compound name
(2E)-N,N-bis(2-chloroethyl)-N'-hydroxy-2-(phenylhydrazinylidene)propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08575 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09303 175.3
[M+Na]+ 339.07497 179.6
[M-H]- 315.07847 180.0
[M+NH4]+ 334.11957 190.9
[M+K]+ 355.04891 175.7
[M+H-H2O]+ 299.08301 168.6
[M+HCOO]- 361.08395 193.6
[M+CH3COO]- 375.09960 217.1
[M+Na-2H]- 337.06042 178.2
[M]+ 316.08520 178.8
[M]- 316.08630 178.8
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.