CID 3055977
Terphenyl thio-achc-3
Structural Information
- Molecular Formula
- C34H42N2O4S2
- SMILES
- CC(=O)SCC[N+](C)(C)CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CCSC(=O)C
- InChI
- InChI=1S/C34H42N2O4S2/c1-25(37)41-21-19-35(3,4)23-33(39)31-15-11-29(12-16-31)27-7-9-28(10-8-27)30-13-17-32(18-14-30)34(40)24-36(5,6)20-22-42-26(2)38/h7-18H,19-24H2,1-6H3/q+2
- InChIKey
- DMSQAVIZCYKAJF-UHFFFAOYSA-N
- Compound name
- 2-acetylsulfanylethyl-[2-[4-[4-[4-[2-[2-acetylsulfanylethyl(dimethyl)azaniumyl]acetyl]phenyl]phenyl]phenyl]-2-oxoethyl]-dimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 607.26588 | 243.3 |
[M+Na]+ | 629.24782 | 241.9 |
[M-H]- | 605.25132 | 252.1 |
[M+NH4]+ | 624.29242 | 245.5 |
[M+K]+ | 645.22176 | 225.4 |
[M+H-H2O]+ | 589.25586 | 236.8 |
[M+HCOO]- | 651.25680 | 249.4 |
[M+CH3COO]- | 665.27245 | 253.4 |
[M+Na-2H]- | 627.23327 | 245.3 |
[M]+ | 606.25805 | 246.7 |
[M]- | 606.25915 | 246.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.