CID 134946
Ici-170809
Structural Information
- Molecular Formula
- C21H24N2S
- SMILES
- CC(C)(CSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3)N(C)C
- InChI
- InChI=1S/C21H24N2S/c1-21(2,23(3)4)15-24-20-18(16-10-6-5-7-11-16)14-17-12-8-9-13-19(17)22-20/h5-14H,15H2,1-4H3
- InChIKey
- ARPRLCXPAGXBRL-UHFFFAOYSA-N
- Compound name
- N,N,2-trimethyl-1-(3-phenylquinolin-2-yl)sulfanylpropan-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 337.17330 | 181.2 |
[M+Na]+ | 359.15524 | 188.1 |
[M-H]- | 335.15874 | 188.3 |
[M+NH4]+ | 354.19984 | 195.5 |
[M+K]+ | 375.12918 | 182.6 |
[M+H-H2O]+ | 319.16328 | 172.1 |
[M+HCOO]- | 381.16422 | 196.6 |
[M+CH3COO]- | 395.17987 | 217.6 |
[M+Na-2H]- | 357.14069 | 185.4 |
[M]+ | 336.16547 | 185.0 |
[M]- | 336.16657 | 185.0 |