CID 135337197
9000-85-5
Structural Information
- Molecular Formula
- C24H25BrN2O3S
- SMILES
- CC(C)(C)OC(=O)CC1(CC2=CC=CC=C2C1)C(=O)N(C)C3=NC4=C(S3)C=CC(=C4)Br
- InChI
- InChI=1S/C24H25BrN2O3S/c1-23(2,3)30-20(28)14-24(12-15-7-5-6-8-16(15)13-24)21(29)27(4)22-26-18-11-17(25)9-10-19(18)31-22/h5-11H,12-14H2,1-4H3
- InChIKey
- MPGUPZJOAFZEMZ-UHFFFAOYSA-N
- Compound name
- tert-butyl 2-[2-[(5-bromo-1,3-benzothiazol-2-yl)-methylcarbamoyl]-1,3-dihydroinden-2-yl]acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 501.08421 | 210.6 |
[M+Na]+ | 523.06615 | 221.2 |
[M-H]- | 499.06965 | 221.9 |
[M+NH4]+ | 518.11075 | 228.7 |
[M+K]+ | 539.04009 | 210.9 |
[M+H-H2O]+ | 483.07419 | 211.1 |
[M+HCOO]- | 545.07513 | 223.5 |
[M+CH3COO]- | 559.09078 | 235.2 |
[M+Na-2H]- | 521.05160 | 212.1 |
[M]+ | 500.07638 | 236.7 |
[M]- | 500.07748 | 236.7 |
Literature stripe
No literature data available for this compound.