CID 135599751

Propanimidamide, 2-(((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazono)-n-hydroxy-n'-(4-methylphenyl)-

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 209.5
[M+Na]+ 456.13284 213.3
[M-H]- 432.13634 218.2
[M+NH4]+ 451.17744 220.7
[M+K]+ 472.10678 207.9
[M+H-H2O]+ 416.14088 200.2
[M+HCOO]- 478.14182 229.1
[M+CH3COO]- 492.15747 244.4
[M+Na-2H]- 454.11829 210.4
[M]+ 433.14307 215.0
[M]- 433.14417 215.0
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.