CID 135583281

N-(p-(bis(2-chloroethyl)amino)phenyl)pyruvamidoxime 2-phenylhydrazone monohydrochloride

Structural Information

Molecular Formula
C19H23Cl2N5O
SMILES
C/C(=N\NC1=CC=CC=C1)/C(=NC2=CC=C(C=C2)N(CCCl)CCCl)NO
InChI
InChI=1S/C19H23Cl2N5O/c1-15(23-24-17-5-3-2-4-6-17)19(25-27)22-16-7-9-18(10-8-16)26(13-11-20)14-12-21/h2-10,24,27H,11-14H2,1H3,(H,22,25)/b23-15+
InChIKey
LHNYRRPYRNMKLX-HZHRSRAPSA-N
Compound name
(2E)-N'-[4-[bis(2-chloroethyl)amino]phenyl]-N-hydroxy-2-(phenylhydrazinylidene)propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.12796 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.13524 198.9
[M+Na]+ 430.11718 201.9
[M-H]- 406.12068 206.3
[M+NH4]+ 425.16178 210.3
[M+K]+ 446.09112 196.7
[M+H-H2O]+ 390.12522 190.2
[M+HCOO]- 452.12616 217.7
[M+CH3COO]- 466.14181 236.5
[M+Na-2H]- 428.10263 201.4
[M]+ 407.12741 202.4
[M]- 407.12851 202.4
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.