CID 3079809
126484-15-9
Structural Information
- Molecular Formula
- C31H30N2PS
- SMILES
- CCN1C(=C(N=C1C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SCC
- InChI
- InChI=1S/C31H30N2PS/c1-3-33-29(25-17-9-5-10-18-25)32-30(31(33)35-4-2)34(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,3-4H2,1-2H3/q+1
- InChIKey
- PGHWFSFFIHGFNF-UHFFFAOYSA-N
- Compound name
- (1-ethyl-5-ethylsulfanyl-2-phenylimidazol-4-yl)-triphenylphosphanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 494.19402 | 224.9 |
[M+Na]+ | 516.17596 | 229.5 |
[M-H]- | 492.17946 | 236.1 |
[M+NH4]+ | 511.22056 | 230.4 |
[M+K]+ | 532.14990 | 215.3 |
[M+H-H2O]+ | 476.18400 | 212.2 |
[M+HCOO]- | 538.18494 | 243.2 |
[M+CH3COO]- | 552.20059 | 232.7 |
[M+Na-2H]- | 514.16141 | 222.1 |
[M]+ | 493.18619 | 224.2 |
[M]- | 493.18729 | 224.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.