CID 57846

100427-80-3

Structural Information

Molecular Formula
C19H24Cl2N4
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)CN(CCCl)CCCl
InChI
InChI=1S/C19H24Cl2N4/c1-24(2)19-9-7-18(8-10-19)23-22-17-5-3-16(4-6-17)15-25(13-11-20)14-12-21/h3-10H,11-15H2,1-2H3
InChIKey
QAVOZXCKBNBBOK-UHFFFAOYSA-N
Compound name
4-[[4-[bis(2-chloroethyl)aminomethyl]phenyl]diazenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.13782 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14510 195.2
[M+Na]+ 401.12704 200.7
[M-H]- 377.13054 205.2
[M+NH4]+ 396.17164 209.7
[M+K]+ 417.10098 196.1
[M+H-H2O]+ 361.13508 185.8
[M+HCOO]- 423.13602 216.1
[M+CH3COO]- 437.15167 236.6
[M+Na-2H]- 399.11249 198.0
[M]+ 378.13727 203.1
[M]- 378.13837 203.1
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.