CID 135599750

Brn 4210583

Structural Information

Molecular Formula
C20H23Cl2N5O
SMILES
C/C(=N\N=C\C1=CC=CC=C1)/C(=NC2=CC=C(C=C2)N(CCCl)CCCl)NO
InChI
InChI=1S/C20H23Cl2N5O/c1-16(25-23-15-17-5-3-2-4-6-17)20(26-28)24-18-7-9-19(10-8-18)27(13-11-21)14-12-22/h2-10,15,28H,11-14H2,1H3,(H,24,26)/b23-15+,25-16+
InChIKey
JYXGSXXSHRYFQQ-VZCAVXRFSA-N
Compound name
(2E)-2-[(E)-benzylidenehydrazinylidene]-N'-[4-[bis(2-chloroethyl)amino]phenyl]-N-hydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.12796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.13524 204.1
[M+Na]+ 442.11718 207.4
[M-H]- 418.12068 212.6
[M+NH4]+ 437.16178 215.6
[M+K]+ 458.09112 202.1
[M+H-H2O]+ 402.12522 194.8
[M+HCOO]- 464.12616 224.1
[M+CH3COO]- 478.14181 240.3
[M+Na-2H]- 440.10263 206.3
[M]+ 419.12741 208.9
[M]- 419.12851 208.9
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.