CID 710813
N-benzhydryl-4-methyl-3-nitrobenzamide
Structural Information
- Molecular Formula
- C21H18N2O3
- SMILES
- CC1=C(C=C(C=C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]
- InChI
- InChI=1S/C21H18N2O3/c1-15-12-13-18(14-19(15)23(25)26)21(24)22-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,22,24)
- InChIKey
- LSUURGDLVVFGBE-UHFFFAOYSA-N
- Compound name
- N-benzhydryl-4-methyl-3-nitrobenzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 347.13902 | 181.5 |
[M+Na]+ | 369.12096 | 184.7 |
[M-H]- | 345.12446 | 190.5 |
[M+NH4]+ | 364.16556 | 192.2 |
[M+K]+ | 385.09490 | 176.2 |
[M+H-H2O]+ | 329.12900 | 176.0 |
[M+HCOO]- | 391.12994 | 204.9 |
[M+CH3COO]- | 405.14559 | 209.6 |
[M+Na-2H]- | 367.10641 | 185.9 |
[M]+ | 346.13119 | 178.4 |
[M]- | 346.13229 | 178.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.