CID 3865782

6370-46-3

Structural Information

Molecular Formula
C15H13N5O7
SMILES
CC1=CC(=C(C(=C1)N=NC2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)O)NC(=O)C
InChI
InChI=1S/C15H13N5O7/c1-7-3-10(16-8(2)21)14(22)11(4-7)17-18-12-5-9(19(24)25)6-13(15(12)23)20(26)27/h3-6,22-23H,1-2H3,(H,16,21)
InChIKey
YRAINWPKPRBSTH-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

375.0815 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08878 178.6
[M+Na]+ 398.07072 182.6
[M-H]- 374.07422 185.7
[M+NH4]+ 393.11532 187.2
[M+K]+ 414.04466 173.0
[M+H-H2O]+ 358.07876 177.9
[M+HCOO]- 420.07970 205.6
[M+CH3COO]- 434.09535 213.7
[M+Na-2H]- 396.05617 185.8
[M]+ 375.08095 176.6
[M]- 375.08205 176.6
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