CID 36157

Nta-208

Structural Information

Molecular Formula
C16H20ClN3O3S
SMILES
CC(CN1CCN(CC1)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O)O
InChI
InChI=1S/C16H20ClN3O3S/c1-11(21)9-18-4-6-19(7-5-18)15(22)10-20-13-8-12(17)2-3-14(13)24-16(20)23/h2-3,8,11,21H,4-7,9-10H2,1H3
InChIKey
LWEBFLDXXIDUKO-UHFFFAOYSA-N
Compound name
5-chloro-3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

369.0914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.09868 181.9
[M+Na]+ 392.08062 190.6
[M-H]- 368.08412 184.6
[M+NH4]+ 387.12522 194.1
[M+K]+ 408.05456 184.7
[M+H-H2O]+ 352.08866 174.7
[M+HCOO]- 414.08960 187.4
[M+CH3COO]- 428.10525 209.6
[M+Na-2H]- 390.06607 179.2
[M]+ 369.09085 185.9
[M]- 369.09195 185.9
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

patents stripe