CID 3063098

3,6-dihydro-4-(4-chlorophenyl)-3-phenyl-2-(phenylimino)-2h-1,3-thiazine-6-carboxylic acid

Structural Information

Molecular Formula
C23H17ClN2O2S
SMILES
C1=CC=C(C=C1)N=C2N(C(=CC(S2)C(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H17ClN2O2S/c24-17-13-11-16(12-14-17)20-15-21(22(27)28)29-23(25-18-7-3-1-4-8-18)26(20)19-9-5-2-6-10-19/h1-15,21H,(H,27,28)
InChIKey
BSNHCAPAFXAQAH-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-phenyl-2-phenylimino-6H-1,3-thiazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.06992 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.07720 197.2
[M+Na]+ 443.05914 204.3
[M-H]- 419.06264 208.0
[M+NH4]+ 438.10374 206.3
[M+K]+ 459.03308 196.0
[M+H-H2O]+ 403.06718 187.0
[M+HCOO]- 465.06812 208.2
[M+CH3COO]- 479.08377 205.9
[M+Na-2H]- 441.04459 197.6
[M]+ 420.06937 198.0
[M]- 420.07047 198.0
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.