CID 74036179

62673-90-9

Structural Information

Molecular Formula
C16H17N3O4S
SMILES
CC1CSC(N=C1C(=O)O)C2C(=O)NC(C(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3O4S/c1-8-7-24-15(19-10(8)16(22)23)12-14(21)17-11(13(20)18-12)9-5-3-2-4-6-9/h2-6,8,11-12,15H,7H2,1H3,(H,17,21)(H,18,20)(H,22,23)
InChIKey
NOPWEGGWWFOKMQ-UHFFFAOYSA-N
Compound name
2-(3,6-dioxo-5-phenylpiperazin-2-yl)-5-methyl-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.09396 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10124 179.2
[M+Na]+ 370.08318 189.7
[M+NH4]+ 365.12778 183.8
[M+K]+ 386.05712 183.6
[M-H]- 346.08668 180.5
[M+Na-2H]- 368.06863 182.8
[M]+ 347.09341 181.0
[M]- 347.09451 181.0
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.