CID 154700099

Ns00117899

Structural Information

Molecular Formula
C18H18N4O7
SMILES
CC(=C(C(=O)NC1=C(C=C(C=C1)O)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC)O
InChI
InChI=1S/C18H18N4O7/c1-10(23)17(18(25)19-13-7-5-12(24)9-16(13)29-3)21-20-14-6-4-11(22(26)27)8-15(14)28-2/h4-9,23-24H,1-3H3,(H,19,25)
InChIKey
YEXIQNVZTXMHCX-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(4-hydroxy-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.11755 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12483 187.9
[M+Na]+ 425.10677 190.7
[M-H]- 401.11027 194.6
[M+NH4]+ 420.15137 196.2
[M+K]+ 441.08071 186.1
[M+H-H2O]+ 385.11481 182.6
[M+HCOO]- 447.11575 213.0
[M+CH3COO]- 461.13140 223.7
[M+Na-2H]- 423.09222 191.2
[M]+ 402.11700 188.8
[M]- 402.11810 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.