CID 135486181

2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol

Structural Information

Molecular Formula
C22H17N3O2
SMILES
COC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4O
InChI
InChI=1S/C22H17N3O2/c1-27-17-13-11-16(12-14-17)21-23-20(15-7-3-2-4-8-15)24-22(25-21)18-9-5-6-10-19(18)26/h2-14,26H,1H3
InChIKey
VARDNKCBWBOEBW-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4474
Patents

355.13208 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 187.3
[M+Na]+ 378.12130 195.8
[M-H]- 354.12480 194.9
[M+NH4]+ 373.16590 194.3
[M+K]+ 394.09524 188.1
[M+H-H2O]+ 338.12934 174.3
[M+HCOO]- 400.13028 205.7
[M+CH3COO]- 414.14593 196.5
[M+Na-2H]- 376.10675 192.5
[M]+ 355.13153 187.1
[M]- 355.13263 187.1
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