CID 135530657
137658-79-8
Structural Information
- Molecular Formula
- C36H45N3O4
- SMILES
- CCCCC(CC)COCC(COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)O)O
- InChI
- InChI=1S/C36H45N3O4/c1-7-9-10-27(8-2)20-42-21-28(40)22-43-29-13-16-32(33(41)19-29)36-38-34(30-14-11-23(3)17-25(30)5)37-35(39-36)31-15-12-24(4)18-26(31)6/h11-19,27-28,40-41H,7-10,20-22H2,1-6H3
- InChIKey
- WYLMGXULBMHUDT-UHFFFAOYSA-N
- Compound name
- 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-(2-ethylhexoxy)-2-hydroxypropoxy]phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 584.34828 | 252.8 |
[M+Na]+ | 606.33022 | 256.2 |
[M-H]- | 582.33372 | 258.1 |
[M+NH4]+ | 601.37482 | 250.1 |
[M+K]+ | 622.30416 | 248.9 |
[M+H-H2O]+ | 566.33826 | 237.9 |
[M+HCOO]- | 628.33920 | 262.8 |
[M+CH3COO]- | 642.35485 | 260.8 |
[M+Na-2H]- | 604.31567 | 245.5 |
[M]+ | 583.34045 | 258.5 |
[M]- | 583.34155 | 258.5 |
Literature stripe
No literature data available for this compound.