CID 6518788
314770-10-0
Structural Information
- Molecular Formula
- C22H25BrN4S
- SMILES
- CCC(C)(C)C1CCC2=C(C1)C3=C(N=CN=C3S2)N/N=C\C4=CC=C(C=C4)Br
- InChI
- InChI=1S/C22H25BrN4S/c1-4-22(2,3)15-7-10-18-17(11-15)19-20(24-13-25-21(19)28-18)27-26-12-14-5-8-16(23)9-6-14/h5-6,8-9,12-13,15H,4,7,10-11H2,1-3H3,(H,24,25,27)/b26-12-
- InChIKey
- UABRSSBCIFQUEZ-ZRGSRPPYSA-N
- Compound name
- N-[(Z)-(4-bromophenyl)methylideneamino]-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 457.10561 | 195.9 |
[M+Na]+ | 479.08755 | 206.9 |
[M-H]- | 455.09105 | 205.1 |
[M+NH4]+ | 474.13215 | 211.0 |
[M+K]+ | 495.06149 | 192.8 |
[M+H-H2O]+ | 439.09559 | 193.7 |
[M+HCOO]- | 501.09653 | 209.2 |
[M+CH3COO]- | 515.11218 | 207.1 |
[M+Na-2H]- | 477.07300 | 200.9 |
[M]+ | 456.09778 | 217.3 |
[M]- | 456.09888 | 217.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.