CID 44151399

74499-65-3

Structural Information

Molecular Formula
C22H22Cl2N5O2
SMILES
CCN(CC[N+]1=CC=CC(=C1)C)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C22H22Cl2N5O2/c1-3-28(12-11-27-10-4-5-16(2)15-27)18-8-6-17(7-9-18)25-26-22-20(23)13-19(29(30)31)14-21(22)24/h4-10,13-15H,3,11-12H2,1-2H3/q+1
InChIKey
SUWMSRXDNBWKQB-UHFFFAOYSA-N
Compound name
4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-(3-methylpyridin-1-ium-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

458.11505 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.12233 215.9
[M+Na]+ 481.10427 220.4
[M-H]- 457.10777 225.8
[M+NH4]+ 476.14887 223.4
[M+K]+ 497.07821 205.8
[M+H-H2O]+ 441.11231 211.5
[M+HCOO]- 503.11325 233.5
[M+CH3COO]- 517.12890 233.4
[M+Na-2H]- 479.08972 221.1
[M]+ 458.11450 220.2
[M]- 458.11560 220.2
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.