CID 108739

55619-06-2

Structural Information

Molecular Formula
C16H17ClN4O2
SMILES
CCN(CCCl)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H17ClN4O2/c1-2-20(12-11-17)15-7-3-13(4-8-15)18-19-14-5-9-16(10-6-14)21(22)23/h3-10H,2,11-12H2,1H3
InChIKey
ZSHZJDLVNUANAY-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-4-[(4-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.104 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11128 178.5
[M+Na]+ 355.09322 183.3
[M-H]- 331.09672 188.1
[M+NH4]+ 350.13782 192.8
[M+K]+ 371.06716 176.2
[M+H-H2O]+ 315.10126 173.8
[M+HCOO]- 377.10220 204.9
[M+CH3COO]- 391.11785 217.1
[M+Na-2H]- 353.07867 185.2
[M]+ 332.10345 182.0
[M]- 332.10455 182.0
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.