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]+ 248.085206 152.7
[M+Na]+ 270.067148 161.0
[M-H]- 246.070654 157.2
[M+NH4]+ 265.111753 171.7
[M+K]+ 286.041088 156.7
[M+H-H2O]+ 230.075190 146.1
[M+HCOO]- 292.076131 169.5
[M+CH3COO]- 306.091781 164.6
[M+Na-2H]- 268.052596 154.1
[M]+ 247.07738142 152.1
[M]- 247.07847858 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