CID 3087441
2h-1,4-benzoxazin-3(4h)-one, 6-(2-((4-chlorophenyl)amino)-4-thiazolyl)-4-methyl-
Structural Information
- Molecular Formula
- C18H14ClN3O2S
- SMILES
- CN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Cl
- InChI
- InChI=1S/C18H14ClN3O2S/c1-22-15-8-11(2-7-16(15)24-9-17(22)23)14-10-25-18(21-14)20-13-5-3-12(19)4-6-13/h2-8,10H,9H2,1H3,(H,20,21)
- InChIKey
- GVVPBQZLYSOLLE-UHFFFAOYSA-N
- Compound name
- 6-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,4-benzoxazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 372.05681 | 184.7 |
[M+Na]+ | 394.03875 | 195.4 |
[M-H]- | 370.04225 | 194.0 |
[M+NH4]+ | 389.08335 | 197.1 |
[M+K]+ | 410.01269 | 189.2 |
[M+H-H2O]+ | 354.04679 | 176.4 |
[M+HCOO]- | 416.04773 | 195.5 |
[M+CH3COO]- | 430.06338 | 195.5 |
[M+Na-2H]- | 392.02420 | 185.7 |
[M]+ | 371.04898 | 189.0 |
[M]- | 371.05008 | 189.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.