CID 102311758
1411910-25-2
Structural Information
- Molecular Formula
- C33H22N4O
- SMILES
- C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)N4C5=CC=CC=C5OC6=CC=CC=C64)C7=CC=CC=C7
- InChI
- InChI=1S/C33H22N4O/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-27-15-7-9-17-29(27)38-30-18-10-8-16-28(30)37/h1-22H
- InChIKey
- ZABORCXHTNWZRV-UHFFFAOYSA-N
- Compound name
- 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 491.18663 | 225.9 |
[M+Na]+ | 513.16857 | 232.9 |
[M-H]- | 489.17207 | 236.3 |
[M+NH4]+ | 508.21317 | 225.4 |
[M+K]+ | 529.14251 | 222.7 |
[M+H-H2O]+ | 473.17661 | 207.4 |
[M+HCOO]- | 535.17755 | 236.9 |
[M+CH3COO]- | 549.19320 | 230.8 |
[M+Na-2H]- | 511.15402 | 230.6 |
[M]+ | 490.17880 | 222.7 |
[M]- | 490.17990 | 222.7 |