CID 78290

4531-45-7

Structural Information

Molecular Formula
C18H24ClN6O2
SMILES
CCN(CC[N+](C)(C)N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H24ClN6O2/c1-4-23(11-12-25(2,3)20)15-7-5-14(6-8-15)21-22-18-10-9-16(24(26)27)13-17(18)19/h5-10,13H,4,11-12,20H2,1-3H3/q+1
InChIKey
KNZLNWGTCUAMND-UHFFFAOYSA-N
Compound name
amino-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.16492 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17220 192.0
[M+Na]+ 414.15414 195.2
[M-H]- 390.15764 202.2
[M+NH4]+ 409.19874 203.5
[M+K]+ 430.12808 183.3
[M+H-H2O]+ 374.16218 189.5
[M+HCOO]- 436.16312 217.7
[M+CH3COO]- 450.17877 228.8
[M+Na-2H]- 412.13959 201.0
[M]+ 391.16437 193.4
[M]- 391.16547 193.4
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.