CID 17811

Disperse yellow 3

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,20H,1-2H3,(H,16,19)
InChIKey
PXOZAFXVEWKXED-UHFFFAOYSA-N
Compound name
N-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

20
References

3055
Patents

269.11642 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.123696 160.8
[M+Na]+ 292.105638 167.9
[M-H]- 268.109144 169.5
[M+NH4]+ 287.150243 177.1
[M+K]+ 308.079578 165.2
[M+H-H2O]+ 252.113680 152.2
[M+HCOO]- 314.114621 189.2
[M+CH3COO]- 328.130271 208.1
[M+Na-2H]- 290.091086 166.6
[M]+ 269.11587142 161.8
[M]- 269.11696858 161.8
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