CID 135599753

Brn 4214500

Structural Information

Molecular Formula
C21H25Cl2N5O2
SMILES
C/C(=N\N=C\C1=CC=C(C=C1)N(CCCl)CCCl)/C(=NC2=CC(=CC=C2)OC)NO
InChI
InChI=1S/C21H25Cl2N5O2/c1-16(21(27-29)25-18-4-3-5-20(14-18)30-2)26-24-15-17-6-8-19(9-7-17)28(12-10-22)13-11-23/h3-9,14-15,29H,10-13H2,1-2H3,(H,25,27)/b24-15+,26-16+
InChIKey
NPXZLALUXGZLHH-XZVFWACVSA-N
Compound name
(2E)-2-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylidenehydrazinylidene]-N-hydroxy-N'-(3-methoxyphenyl)propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.13852 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.14580 208.4
[M+Na]+ 472.12774 218.2
[M+NH4]+ 467.17234 214.1
[M+K]+ 488.10168 209.8
[M-H]- 448.13124 214.2
[M+Na-2H]- 470.11319 215.2
[M]+ 449.13797 211.6
[M]- 449.13907 211.6
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

No patent data available for this compound.