CID 79927

5844-01-9

Structural Information

Molecular Formula
C19H16N4O
SMILES
CC1=CC(=CC(=C1O)N=NC2=CC=CC=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C19H16N4O/c1-14-12-17(22-20-15-8-4-2-5-9-15)13-18(19(14)24)23-21-16-10-6-3-7-11-16/h2-13,24H,1H3
InChIKey
RPZZLBYXHLWEOJ-UHFFFAOYSA-N
Compound name
2-methyl-4,6-bis(phenyldiazenyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
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

No literature data available for this compound.

Patent stripe

patents stripe