CID 2828593
4-methyl-n,6-diphenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
Structural Information
- Molecular Formula
- C18H17N3OS
- SMILES
- CC1=C(C(NC(=S)N1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3
- InChI
- InChI=1S/C18H17N3OS/c1-12-15(17(22)20-14-10-6-3-7-11-14)16(21-18(23)19-12)13-8-4-2-5-9-13/h2-11,16H,1H3,(H,20,22)(H2,19,21,23)
- InChIKey
- XHVDKHPVDSMLJL-UHFFFAOYSA-N
- Compound name
- 6-methyl-N,4-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 324.11650 | 174.4 |
[M+Na]+ | 346.09844 | 180.4 |
[M-H]- | 322.10194 | 178.4 |
[M+NH4]+ | 341.14304 | 184.4 |
[M+K]+ | 362.07238 | 171.9 |
[M+H-H2O]+ | 306.10648 | 165.4 |
[M+HCOO]- | 368.10742 | 186.0 |
[M+CH3COO]- | 382.12307 | 182.8 |
[M+Na-2H]- | 344.08389 | 175.1 |
[M]+ | 323.10867 | 169.0 |
[M]- | 323.10977 | 169.0 |