CID 24710550

N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C12H13N3OS
SMILES
C1CC(NC1)C(=O)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H13N3OS/c16-11(9-5-3-7-13-9)15-12-14-8-4-1-2-6-10(8)17-12/h1-2,4,6,9,13H,3,5,7H2,(H,14,15,16)
InChIKey
BYZCRWPMTZKDIH-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.07793 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08521 152.7
[M+Na]+ 270.06715 161.0
[M-H]- 246.07065 157.2
[M+NH4]+ 265.11175 171.7
[M+K]+ 286.04109 156.7
[M+H-H2O]+ 230.07519 146.1
[M+HCOO]- 292.07613 169.5
[M+CH3COO]- 306.09178 164.6
[M+Na-2H]- 268.05260 154.1
[M]+ 247.07738 152.1
[M]- 247.07848 152.1
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