CID 110863

Einecs 229-354-6

Structural Information

Molecular Formula
C17H16N4O5
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C17H16N4O5/c1-11(22)16(17(23)18-12-6-4-3-5-7-12)20-19-14-9-8-13(26-2)10-15(14)21(24)25/h3-10,16H,1-2H3,(H,18,23)
InChIKey
UQVOMHJSPSUJQA-UHFFFAOYSA-N
Compound name
2-[(4-methoxy-2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.11206 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11934 179.2
[M+Na]+ 379.10128 182.2
[M-H]- 355.10478 188.1
[M+NH4]+ 374.14588 190.4
[M+K]+ 395.07522 177.6
[M+H-H2O]+ 339.10932 173.7
[M+HCOO]- 401.11026 207.4
[M+CH3COO]- 415.12591 219.1
[M+Na-2H]- 377.08673 184.5
[M]+ 356.11151 180.1
[M]- 356.11261 180.1
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

patents stripe