CID 135601372

Einecs 205-713-2

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
3
Annotation Hits

0
References

4
Patents

330.0964 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.103676 170.8
[M+Na]+ 353.085618 176.7
[M-H]- 329.089124 178.3
[M+NH4]+ 348.130223 182.8
[M+K]+ 369.059558 170.5
[M+H-H2O]+ 313.093660 166.4
[M+HCOO]- 375.094601 198.4
[M+CH3COO]- 389.110251 211.4
[M+Na-2H]- 351.071066 176.5
[M]+ 330.09585142 170.5
[M]- 330.09694858 170.5
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