CID 74276

2-(2,4-dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Structural Information

Molecular Formula
C25H23N3O2
SMILES
CC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4)C)C)C
InChI
InChI=1S/C25H23N3O2/c1-14-5-8-19(16(3)11-14)23-26-24(20-9-6-15(2)12-17(20)4)28-25(27-23)21-10-7-18(29)13-22(21)30/h5-13,29-30H,1-4H3
InChIKey
FROCQMFXPIROOK-UHFFFAOYSA-N
Compound name
4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9105
Patents

397.17902 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.186296 203.3
[M+Na]+ 420.168238 213.5
[M-H]- 396.171744 210.7
[M+NH4]+ 415.212843 209.1
[M+K]+ 436.142178 204.9
[M+H-H2O]+ 380.176280 190.8
[M+HCOO]- 442.177221 219.0
[M+CH3COO]- 456.192871 211.8
[M+Na-2H]- 418.153686 203.2
[M]+ 397.17847142 204.2
[M]- 397.17956858 204.2
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