CID 459055

Alpha-[4-(o-tolylazo)-o-tolylimino]cresorcinol

Structural Information

Molecular Formula
C21H19N3O2
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=CC3=C(C=C(C=C3)O)O)C
InChI
InChI=1S/C21H19N3O2/c1-14-5-3-4-6-20(14)24-23-17-8-10-19(15(2)11-17)22-13-16-7-9-18(25)12-21(16)26/h3-13,25-26H,1-2H3
InChIKey
VHZQCLQWHOGPGV-UHFFFAOYSA-N
Compound name
4-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminomethyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14774 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.155016 182.9
[M+Na]+ 368.136958 190.7
[M-H]- 344.140464 194.7
[M+NH4]+ 363.181563 196.1
[M+K]+ 384.110898 185.7
[M+H-H2O]+ 328.145000 172.5
[M+HCOO]- 390.145941 211.4
[M+CH3COO]- 404.161591 223.7
[M+Na-2H]- 366.122406 187.7
[M]+ 345.14719142 184.7
[M]- 345.14828858 184.7
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

No patent data available for this compound.