CID 3011396

(2s)-n-[4-(2-aminothiazol-4-yl)phenyl]-1-benzyl-5-oxo-pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C21H20N4O2S
SMILES
C1CC(=O)N([C@@H]1C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)CC4=CC=CC=C4
InChI
InChI=1S/C21H20N4O2S/c22-21-24-17(13-28-21)15-6-8-16(9-7-15)23-20(27)18-10-11-19(26)25(18)12-14-4-2-1-3-5-14/h1-9,13,18H,10-12H2,(H2,22,24)(H,23,27)/t18-/m0/s1
InChIKey
YJAACVRCKZVURT-SFHVURJKSA-N
Compound name
(2S)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1-benzyl-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

392.1307 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13798 191.4
[M+Na]+ 415.11992 198.0
[M-H]- 391.12342 202.2
[M+NH4]+ 410.16452 203.1
[M+K]+ 431.09386 191.7
[M+H-H2O]+ 375.12796 182.3
[M+HCOO]- 437.12890 208.9
[M+CH3COO]- 451.14455 200.9
[M+Na-2H]- 413.10537 187.8
[M]+ 392.13015 190.6
[M]- 392.13125 190.6
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.