CID 34282
Itf 636
Structural Information
- Molecular Formula
- C25H24N2O3
- SMILES
- CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCC4=CC=CC=C4
- InChI
- InChI=1S/C25H24N2O3/c1-2-3-17-29-25(28)20-13-15-21(16-14-20)27-23-12-8-7-11-22(23)24(26-27)30-18-19-9-5-4-6-10-19/h4-16H,2-3,17-18H2,1H3
- InChIKey
- KFHOWWCLCYDJJC-UHFFFAOYSA-N
- Compound name
- butyl 4-(3-phenylmethoxyindazol-1-yl)benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 401.18596 | 198.9 |
[M+Na]+ | 423.16790 | 206.3 |
[M-H]- | 399.17140 | 206.9 |
[M+NH4]+ | 418.21250 | 209.2 |
[M+K]+ | 439.14184 | 200.0 |
[M+H-H2O]+ | 383.17594 | 187.3 |
[M+HCOO]- | 445.17688 | 219.5 |
[M+CH3COO]- | 459.19253 | 208.3 |
[M+Na-2H]- | 421.15335 | 201.0 |
[M]+ | 400.17813 | 204.5 |
[M]- | 400.17923 | 204.5 |
Literature stripe
No literature data available for this compound.