CID 135570937

94231-83-1

Structural Information

Molecular Formula
C18H14N4O6
SMILES
COC(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=C(C=CC(=C3)[N+](=O)[O-])O
InChI
InChI=1S/C18H14N4O6/c1-28-18(25)19-12-4-2-3-10-5-7-15(24)17(16(10)12)21-20-13-9-11(22(26)27)6-8-14(13)23/h2-9,23-24H,1H3,(H,19,25)
InChIKey
RWODFOSCGOFTKK-UHFFFAOYSA-N
Compound name
methyl N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.09134 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.098616 180.7
[M+Na]+ 405.080558 185.8
[M-H]- 381.084064 188.7
[M+NH4]+ 400.125163 191.1
[M+K]+ 421.054498 179.6
[M+H-H2O]+ 365.088600 175.3
[M+HCOO]- 427.089541 206.9
[M+CH3COO]- 441.105191 220.0
[M+Na-2H]- 403.066006 188.9
[M]+ 382.09079142 181.5
[M]- 382.09188858 181.5
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.