CID 162035
Benzidol
Structural Information
- Molecular Formula
- C17H18N2O3
- SMILES
- C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(CO)O
- InChI
- InChI=1S/C17H18N2O3/c20-11-14(21)12-22-17-15-8-4-5-9-16(15)19(18-17)10-13-6-2-1-3-7-13/h1-9,14,20-21H,10-12H2
- InChIKey
- DNRGADIEZZFWOT-UHFFFAOYSA-N
- Compound name
- 3-(1-benzylindazol-3-yl)oxypropane-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 299.13902 | 168.1 |
[M+Na]+ | 321.12096 | 175.9 |
[M-H]- | 297.12446 | 170.8 |
[M+NH4]+ | 316.16556 | 181.8 |
[M+K]+ | 337.09490 | 170.8 |
[M+H-H2O]+ | 281.12900 | 159.3 |
[M+HCOO]- | 343.12994 | 187.3 |
[M+CH3COO]- | 357.14559 | 178.7 |
[M+Na-2H]- | 319.10641 | 172.5 |
[M]+ | 298.13119 | 170.8 |
[M]- | 298.13229 | 170.8 |