CID 44152195

85005-77-2

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 192.2
[M+Na]+ 398.13542 196.2
[M-H]- 374.13892 203.1
[M+NH4]+ 393.18002 205.2
[M+K]+ 414.10936 190.2
[M+H-H2O]+ 358.14346 186.7
[M+HCOO]- 420.14440 219.2
[M+CH3COO]- 434.16005 232.3
[M+Na-2H]- 396.12087 196.9
[M]+ 375.14565 197.2
[M]- 375.14675 197.2
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.