CID 480109

4-acetyl-n-[4-chloro-3-[hydroxy(isopropoxy)methyl]phenyl]-5-methyl-2,3-dihydro-1,4-thiazine-6-carboxamide

Structural Information

Molecular Formula
C18H23ClN2O4S
SMILES
CC1=C(SCCN1C(=O)C)C(=O)NC2=CC(=C(C=C2)Cl)C(O)OC(C)C
InChI
InChI=1S/C18H23ClN2O4S/c1-10(2)25-18(24)14-9-13(5-6-15(14)19)20-17(23)16-11(3)21(12(4)22)7-8-26-16/h5-6,9-10,18,24H,7-8H2,1-4H3,(H,20,23)
InChIKey
FBIYKXYJMJQFLK-UHFFFAOYSA-N
Compound name
4-acetyl-N-[4-chloro-3-[hydroxy(propan-2-yloxy)methyl]phenyl]-5-methyl-2,3-dihydro-1,4-thiazine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.10672 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.11400 188.1
[M+Na]+ 421.09594 192.7
[M-H]- 397.09944 191.8
[M+NH4]+ 416.14054 198.3
[M+K]+ 437.06988 188.5
[M+H-H2O]+ 381.10398 181.4
[M+HCOO]- 443.10492 194.1
[M+CH3COO]- 457.12057 220.9
[M+Na-2H]- 419.08139 183.2
[M]+ 398.10617 191.7
[M]- 398.10727 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.