CID 3067561

81735-48-0

Structural Information

Molecular Formula
C21H23N3OS
SMILES
CC1(C2=CC=CC=C2SC(=N1)CN3CCNC(C3=O)C4=CC=CC=C4)C
InChI
InChI=1S/C21H23N3OS/c1-21(2)16-10-6-7-11-17(16)26-18(23-21)14-24-13-12-22-19(20(24)25)15-8-4-3-5-9-15/h3-11,19,22H,12-14H2,1-2H3
InChIKey
YDOAIUKZGXHXMY-UHFFFAOYSA-N
Compound name
1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1562 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16348 186.6
[M+Na]+ 388.14542 201.9
[M+NH4]+ 383.19002 196.4
[M+K]+ 404.11936 188.9
[M-H]- 364.14892 192.3
[M+Na-2H]- 386.13087 196.1
[M]+ 365.15565 191.2
[M]- 365.15675 191.2
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.