CID 22736

Disperse yellow 7

Structural Information

Molecular Formula
C19H16N4O
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3)O
InChI
InChI=1S/C19H16N4O/c1-14-13-18(11-12-19(14)24)23-22-17-9-7-16(8-10-17)21-20-15-5-3-2-4-6-15/h2-13,24H,1H3
InChIKey
VGKYEIFFSOPYEW-UHFFFAOYSA-N
Compound name
2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

11525
Patents

316.13242 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13970 172.9
[M+Na]+ 339.12164 179.9
[M-H]- 315.12514 186.8
[M+NH4]+ 334.16624 187.7
[M+K]+ 355.09558 176.2
[M+H-H2O]+ 299.12968 161.8
[M+HCOO]- 361.13062 205.8
[M+CH3COO]- 375.14627 223.0
[M+Na-2H]- 337.10709 181.6
[M]+ 316.13187 174.8
[M]- 316.13297 174.8
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