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 151.1
[M+Na]+ 262.06207 157.5
[M-H]- 238.06557 153.6
[M+NH4]+ 257.10667 169.9
[M+K]+ 278.03601 154.8
[M+H-H2O]+ 222.07011 144.9
[M+HCOO]- 284.07105 166.6
[M+CH3COO]- 298.08670 193.9
[M+Na-2H]- 260.04752 151.4
[M]+ 239.07230 149.6
[M]- 239.07340 149.6
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.