CID 44201003

Dbpr-108

Structural Information

Molecular Formula
C16H25FN4O2
SMILES
CC(C)(CC(=O)N1CCCC1)NCC(=O)N2C[C@H](C[C@H]2C#N)F
InChI
InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
InChIKey
VQKSCYBKUIDZEI-STQMWFEESA-N
Compound name
(2S,4S)-4-fluoro-1-[2-[(2-methyl-4-oxo-4-pyrrolidin-1-ylbutan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

89
Patents

324.19617 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20345 176.2
[M+Na]+ 347.18539 180.8
[M-H]- 323.18889 176.7
[M+NH4]+ 342.22999 188.5
[M+K]+ 363.15933 177.4
[M+H-H2O]+ 307.19343 160.4
[M+HCOO]- 369.19437 187.2
[M+CH3COO]- 383.21002 218.5
[M+Na-2H]- 345.17084 172.2
[M]+ 324.19562 166.4
[M]- 324.19672 166.4
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

patents stripe