CID 135601372

148-39-0

Structural Information

Molecular Formula
C15H14N4O5
SMILES
CC1=CC(=C(C(=C1)N=NC2=C(C=CC(=C2)[N+](=O)[O-])O)O)NC(=O)C
InChI
InChI=1S/C15H14N4O5/c1-8-5-12(16-9(2)20)15(22)13(6-8)18-17-11-7-10(19(23)24)3-4-14(11)21/h3-7,21-22H,1-2H3,(H,16,20)
InChIKey
FALQNKUJCMXVBL-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

330.0964 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10368 173.5
[M+Na]+ 353.08562 184.8
[M+NH4]+ 348.13022 178.6
[M+K]+ 369.05956 182.8
[M-H]- 329.08912 178.6
[M+Na-2H]- 351.07107 179.4
[M]+ 330.09585 176.0
[M]- 330.09695 176.0
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