CID 135599751

Brn 4213113

Structural Information

Molecular Formula
C21H25Cl2N5O
SMILES
CC1=CC=C(C=C1)N=C(/C(=N/N=C/C2=CC=C(C=C2)N(CCCl)CCCl)/C)NO
InChI
InChI=1S/C21H25Cl2N5O/c1-16-3-7-19(8-4-16)25-21(27-29)17(2)26-24-15-18-5-9-20(10-6-18)28(13-11-22)14-12-23/h3-10,15,29H,11-14H2,1-2H3,(H,25,27)/b24-15+,26-17+
InChIKey
RNKSLGKWRNWQKL-YTBVUBLGSA-N
Compound name
(2E)-2-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.14362 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.15090 206.3
[M+Na]+ 456.13284 216.6
[M+NH4]+ 451.17744 212.6
[M+K]+ 472.10678 207.6
[M-H]- 432.13634 212.5
[M+Na-2H]- 454.11829 213.5
[M]+ 433.14307 209.8
[M]- 433.14417 209.8
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.