CID 38396

40136-86-5

Structural Information

Molecular Formula
C18H21Cl2N3
SMILES
CC(CN(CC(C)Cl)C1=CC=C(C=C1)N=NC2=CC=CC=C2)Cl
InChI
InChI=1S/C18H21Cl2N3/c1-14(19)12-23(13-15(2)20)18-10-8-17(9-11-18)22-21-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3
InChIKey
NHGTUDJKVXBFSP-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloropropyl)-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.11127 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11855 185.1
[M+Na]+ 372.10049 190.4
[M-H]- 348.10399 194.0
[M+NH4]+ 367.14509 200.2
[M+K]+ 388.07443 185.6
[M+H-H2O]+ 332.10853 176.8
[M+HCOO]- 394.10947 203.1
[M+CH3COO]- 408.12512 226.1
[M+Na-2H]- 370.08594 187.5
[M]+ 349.11072 190.7
[M]- 349.11182 190.7
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.