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

9621
Patents

397.17902 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18630 203.3
[M+Na]+ 420.16824 213.5
[M-H]- 396.17174 210.7
[M+NH4]+ 415.21284 209.1
[M+K]+ 436.14218 204.9
[M+H-H2O]+ 380.17628 190.8
[M+HCOO]- 442.17722 219.0
[M+CH3COO]- 456.19287 211.8
[M+Na-2H]- 418.15369 203.2
[M]+ 397.17847 204.2
[M]- 397.17957 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