CID 597994
1,1,3-triphenylurea
Structural Information
- Molecular Formula
- C19H16N2O
- SMILES
- C1=CC=C(C=C1)NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3
- InChI
- InChI=1S/C19H16N2O/c22-19(20-16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,20,22)
- InChIKey
- HKQGDIKHDDGEOE-UHFFFAOYSA-N
- Compound name
- 1,1,3-triphenylurea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 289.13353 | 166.8 |
[M+Na]+ | 311.11547 | 170.9 |
[M-H]- | 287.11897 | 177.1 |
[M+NH4]+ | 306.16007 | 181.1 |
[M+K]+ | 327.08941 | 166.9 |
[M+H-H2O]+ | 271.12351 | 156.9 |
[M+HCOO]- | 333.12445 | 192.6 |
[M+CH3COO]- | 347.14010 | 178.0 |
[M+Na-2H]- | 309.10092 | 173.6 |
[M]+ | 288.12570 | 164.6 |
[M]- | 288.12680 | 164.6 |