CID 4671116
441783-67-1
Structural Information
- Molecular Formula
- C24H23F2N3OS2
- SMILES
- CCC1=CC(=C(S1)SCC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC=C4F)F)N)C#N
- InChI
- InChI=1S/C24H23F2N3OS2/c1-3-13-11-14(24(32-13)31-4-2)20-15(12-27)23(28)29(18-9-6-10-19(30)21(18)20)22-16(25)7-5-8-17(22)26/h5,7-8,11,20H,3-4,6,9-10,28H2,1-2H3
- InChIKey
- QSUQLNKJEDPCDZ-UHFFFAOYSA-N
- Compound name
- 2-amino-1-(2,6-difluorophenyl)-4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 472.13234 | 213.5 |
[M+Na]+ | 494.11428 | 225.4 |
[M-H]- | 470.11778 | 218.3 |
[M+NH4]+ | 489.15888 | 223.3 |
[M+K]+ | 510.08822 | 214.7 |
[M+H-H2O]+ | 454.12232 | 198.7 |
[M+HCOO]- | 516.12326 | 216.8 |
[M+CH3COO]- | 530.13891 | 219.7 |
[M+Na-2H]- | 492.09973 | 206.2 |
[M]+ | 471.12451 | 208.8 |
[M]- | 471.12561 | 208.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.