CID 110892

Einecs 229-419-9

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

60
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 186.5
[M+Na]+ 409.11184 189.6
[M-H]- 385.11534 195.5
[M+NH4]+ 404.15644 196.6
[M+K]+ 425.08578 185.6
[M+H-H2O]+ 369.11988 180.6
[M+HCOO]- 431.12082 214.4
[M+CH3COO]- 445.13647 225.5
[M+Na-2H]- 407.09729 190.9
[M]+ 386.12207 189.4
[M]- 386.12317 189.4
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