CID 315300

64253-12-9

Structural Information

Molecular Formula
C17H19Cl2N3
SMILES
CC1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=CC=C2
InChI
InChI=1S/C17H19Cl2N3/c1-14-13-16(22(11-9-18)12-10-19)7-8-17(14)21-20-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKey
WRDRPCGBZOZRJP-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-3-methyl-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0956 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.10288 180.9
[M+Na]+ 358.08482 188.0
[M-H]- 334.08832 189.9
[M+NH4]+ 353.12942 196.9
[M+K]+ 374.05876 182.4
[M+H-H2O]+ 318.09286 172.5
[M+HCOO]- 380.09380 200.9
[M+CH3COO]- 394.10945 222.7
[M+Na-2H]- 356.07027 185.2
[M]+ 335.09505 187.4
[M]- 335.09615 187.4
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.