CID 92670

57119-91-2

Structural Information

Molecular Formula
C20H18ClN5O6
SMILES
C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])[N+](=O)[O-])NCCOCCO
InChI
InChI=1S/C20H18ClN5O6/c21-16-11-13(25(28)29)12-19(26(30)31)20(16)24-23-18-6-5-17(22-7-9-32-10-8-27)14-3-1-2-4-15(14)18/h1-6,11-12,22,27H,7-10H2
InChIKey
SBAGGPLWENQGGV-UHFFFAOYSA-N
Compound name
2-[2-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.09457 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.10185 203.6
[M+Na]+ 482.08379 205.8
[M-H]- 458.08729 210.8
[M+NH4]+ 477.12839 210.6
[M+K]+ 498.05773 194.1
[M+H-H2O]+ 442.09183 202.3
[M+HCOO]- 504.09277 226.0
[M+CH3COO]- 518.10842 229.6
[M+Na-2H]- 480.06924 212.4
[M]+ 459.09402 205.9
[M]- 459.09512 205.9
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.