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 166.8
[M+Na]+ 331.02786 174.1
[M-H]- 307.03136 170.6
[M+NH4]+ 326.07246 180.6
[M+K]+ 347.00180 166.7
[M+H-H2O]+ 291.03590 160.2
[M+HCOO]- 353.03684 176.8
[M+CH3COO]- 367.05249 200.5
[M+Na-2H]- 329.01331 166.7
[M]+ 308.03809 166.5
[M]- 308.03919 166.5
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.