CID 44152195

Einecs 285-008-4

Structural Information

Molecular Formula
C18H22ClN5O2
SMILES
CCN(CCN(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H22ClN5O2/c1-4-23(12-11-22(2)3)15-7-5-14(6-8-15)20-21-18-10-9-16(24(25)26)13-17(18)19/h5-10,13H,4,11-12H2,1-3H3
InChIKey
ZZZNCWYEHUUSCL-UHFFFAOYSA-N
Compound name
N'-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1462 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15348 188.9
[M+Na]+ 398.13542 201.6
[M+NH4]+ 393.18002 196.5
[M+K]+ 414.10936 195.9
[M-H]- 374.13892 197.6
[M+Na-2H]- 396.12087 197.6
[M]+ 375.14565 193.3
[M]- 375.14675 193.3
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.