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
3
Annotation Hits

0
References

567
Patents

386.12262 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.129896 186.5
[M+Na]+ 409.111838 189.6
[M-H]- 385.115344 195.5
[M+NH4]+ 404.156443 196.6
[M+K]+ 425.085778 185.6
[M+H-H2O]+ 369.119880 180.6
[M+HCOO]- 431.120821 214.4
[M+CH3COO]- 445.136471 225.5
[M+Na-2H]- 407.097286 190.9
[M]+ 386.12207142 189.4
[M]- 386.12316858 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