CID 140484307

Schembl13707237

Structural Information

Molecular Formula
C18H18N4O6
SMILES
CC(=C(C(=O)NC1=CC=CC=C1OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC)O
InChI
InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-13-6-4-5-7-15(13)27-2)21-20-14-9-8-12(22(25)26)10-16(14)28-3/h4-10,23H,1-3H3,(H,19,24)
InChIKey
CVJLCVZFYOXNLK-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

386.12262 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12990 186.1
[M+Na]+ 409.11184 188.8
[M-H]- 385.11534 193.8
[M+NH4]+ 404.15644 195.6
[M+K]+ 425.08578 184.0
[M+H-H2O]+ 369.11988 180.6
[M+HCOO]- 431.12082 212.6
[M+CH3COO]- 445.13647 222.4
[M+Na-2H]- 407.09729 190.1
[M]+ 386.12207 187.1
[M]- 386.12317 187.1
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.