CID 622262
5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4h)-one
Structural Information
- Molecular Formula
- C13H18N2O2S
- SMILES
- CC1(CC2=C(C(=O)C1)SC(=N2)N3CCOCC3)C
- InChI
- InChI=1S/C13H18N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h3-8H2,1-2H3
- InChIKey
- DZXMARZBAUMWLK-UHFFFAOYSA-N
- Compound name
- 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 267.11618 | 158.8 |
[M+Na]+ | 289.09812 | 166.6 |
[M-H]- | 265.10162 | 163.9 |
[M+NH4]+ | 284.14272 | 176.9 |
[M+K]+ | 305.07206 | 164.5 |
[M+H-H2O]+ | 249.10616 | 152.1 |
[M+HCOO]- | 311.10710 | 169.3 |
[M+CH3COO]- | 325.12275 | 170.1 |
[M+Na-2H]- | 287.08357 | 159.8 |
[M]+ | 266.10835 | 157.9 |
[M]- | 266.10945 | 157.9 |