CID 110892

6528-34-3

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

386.12262 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12990 186.3
[M+Na]+ 409.11184 196.1
[M+NH4]+ 404.15644 190.5
[M+K]+ 425.08578 194.7
[M-H]- 385.11534 191.0
[M+Na-2H]- 407.09729 192.1
[M]+ 386.12207 188.4
[M]- 386.12317 188.4
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

patents stripe