CID 135463944

4-(4-chlorophenyl)-2-(2-propenylamino)-6h-1,3-thiazine-6-carboxylic acid

Structural Information

Molecular Formula
C14H13ClN2O2S
SMILES
C=CCN=C1NC(=CC(S1)C(=O)O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN2O2S/c1-2-7-16-14-17-11(8-12(20-14)13(18)19)9-3-5-10(15)6-4-9/h2-6,8,12H,1,7H2,(H,16,17)(H,18,19)
InChIKey
PYEXXKZZWLJFSC-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2-prop-2-enylimino-3,6-dihydro-1,3-thiazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.03864 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04592 167.9
[M+Na]+ 331.02786 180.0
[M+NH4]+ 326.07246 175.2
[M+K]+ 347.00180 171.0
[M-H]- 307.03136 170.8
[M+Na-2H]- 329.01331 173.6
[M]+ 308.03809 171.0
[M]- 308.03919 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.