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

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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 196.7
[M+Na]+ 443.05914 213.9
[M+NH4]+ 438.10374 205.5
[M+K]+ 459.03308 201.7
[M-H]- 419.06264 205.9
[M+Na-2H]- 441.04459 209.0
[M]+ 420.06937 202.7
[M]- 420.07047 202.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.