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]+ 379.145096 195.2
[M+Na]+ 401.127038 200.7
[M-H]- 377.130544 205.2
[M+NH4]+ 396.171643 209.7
[M+K]+ 417.100978 196.1
[M+H-H2O]+ 361.135080 185.8
[M+HCOO]- 423.136021 216.1
[M+CH3COO]- 437.151671 236.6
[M+Na-2H]- 399.112486 198.0
[M]+ 378.13727142 203.1
[M]- 378.13836858 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.