CID 22829

6358-31-2

Structural Information

Molecular Formula
C18H18N4O6
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC
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/h4-10,17H,1-3H3,(H,19,24)
InChIKey
ZTISORAUJJGACZ-UHFFFAOYSA-N
Compound name
2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

693
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

literature stripe

Patent stripe

patents stripe