CID 88760
21038-19-7
Structural Information
- Molecular Formula
- C16H17N3
- SMILES
- C1CN=C(NN1)C(C2=CC=CC=C2)C3=CC=CC=C3
- InChI
- InChI=1S/C16H17N3/c1-3-7-13(8-4-1)15(14-9-5-2-6-10-14)16-17-11-12-18-19-16/h1-10,15,18H,11-12H2,(H,17,19)
- InChIKey
- IGKMVYTZFRGNPA-UHFFFAOYSA-N
- Compound name
- 3-benzhydryl-1,2,5,6-tetrahydro-1,2,4-triazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 252.14952 | 158.9 |
[M+Na]+ | 274.13146 | 162.7 |
[M-H]- | 250.13496 | 160.4 |
[M+NH4]+ | 269.17606 | 169.0 |
[M+K]+ | 290.10540 | 155.8 |
[M+H-H2O]+ | 234.13950 | 148.2 |
[M+HCOO]- | 296.14044 | 172.9 |
[M+CH3COO]- | 310.15609 | 167.2 |
[M+Na-2H]- | 272.11691 | 164.6 |
[M]+ | 251.14169 | 150.2 |
[M]- | 251.14279 | 150.2 |
Literature stripe
No literature data available for this compound.