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 211.3
[M+Na]+ 472.12774 214.9
[M-H]- 448.13124 220.1
[M+NH4]+ 467.17234 221.8
[M+K]+ 488.10168 210.3
[M+H-H2O]+ 432.13578 201.9
[M+HCOO]- 494.13672 231.2
[M+CH3COO]- 508.15237 246.4
[M+Na-2H]- 470.11319 212.4
[M]+ 449.13797 218.1
[M]- 449.13907 218.1
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.