CID 6435529

P-(dimethylamino)benzaldehyde bis(2-chloroethyl)hydrazone

Structural Information

Molecular Formula
C13H19Cl2N3
SMILES
CN(C)C1=CC=C(C=C1)/C=N/N(CCCl)CCCl
InChI
InChI=1S/C13H19Cl2N3/c1-17(2)13-5-3-12(4-6-13)11-16-18(9-7-14)10-8-15/h3-6,11H,7-10H2,1-2H3/b16-11+
InChIKey
FQRDIPPPELKSON-LFIBNONCSA-N
Compound name
4-[(E)-[bis(2-chloroethyl)hydrazinylidene]methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0956 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10288 169.2
[M+Na]+ 310.08482 175.5
[M-H]- 286.08832 175.4
[M+NH4]+ 305.12942 187.3
[M+K]+ 326.05876 171.8
[M+H-H2O]+ 270.09286 162.5
[M+HCOO]- 332.09380 188.3
[M+CH3COO]- 346.10945 215.1
[M+Na-2H]- 308.07027 172.6
[M]+ 287.09505 175.5
[M]- 287.09615 175.5
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.