CID 7064013

1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C13H13N3OS
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C13H13N3OS/c14-13-15-11(8-18-13)9-3-5-10(6-4-9)16-7-1-2-12(16)17/h3-6,8H,1-2,7H2,(H2,14,15)
InChIKey
OFSONEPCPBZQRA-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.07794 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08522 157.5
[M+Na]+ 282.06716 168.9
[M+NH4]+ 277.11176 166.0
[M+K]+ 298.04110 164.2
[M-H]- 258.07066 162.3
[M+Na-2H]- 280.05261 164.5
[M]+ 259.07739 160.7
[M]- 259.07849 160.7
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

No patent data available for this compound.