CID 134822012

Chembl4636323

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
C[C@H](C(=O)NC1=NC2=C(S1)CCCC2=O)N
InChI
InChI=1S/C10H13N3O2S/c1-5(11)9(15)13-10-12-8-6(14)3-2-4-7(8)16-10/h5H,2-4,11H2,1H3,(H,12,13,15)/t5-/m1/s1
InChIKey
IOUBCOWUBQDGKF-RXMQYKEDSA-N
Compound name
(2R)-2-amino-N-(4-oxo-6,7-dihydro-5H-1,3-benzothiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.07285 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08013 151.3
[M+Na]+ 262.06207 158.5
[M+NH4]+ 257.10667 158.5
[M+K]+ 278.03601 154.6
[M-H]- 238.06557 152.2
[M+Na-2H]- 260.04752 153.3
[M]+ 239.07230 152.5
[M]- 239.07340 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.