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]+ 346.15502 182.9
[M+Na]+ 368.13696 190.7
[M-H]- 344.14046 194.7
[M+NH4]+ 363.18156 196.1
[M+K]+ 384.11090 185.7
[M+H-H2O]+ 328.14500 172.5
[M+HCOO]- 390.14594 211.4
[M+CH3COO]- 404.16159 223.7
[M+Na-2H]- 366.12241 187.7
[M]+ 345.14719 184.7
[M]- 345.14829 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.