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
2
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]+ 403.124826 187.9
[M+Na]+ 425.106768 190.7
[M-H]- 401.110274 194.6
[M+NH4]+ 420.151373 196.2
[M+K]+ 441.080708 186.1
[M+H-H2O]+ 385.114810 182.6
[M+HCOO]- 447.115751 213.0
[M+CH3COO]- 461.131401 223.7
[M+Na-2H]- 423.092216 191.2
[M]+ 402.11700142 188.8
[M]- 402.11809858 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.