CID 127299

Jtp 2942

Structural Information

Molecular Formula
C18H25N5O4
SMILES
C[C@@H]1CC(=O)C[C@@H]1C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N
InChI
InChI=1S/C18H25N5O4/c1-10-5-12(24)7-13(10)17(26)22-14(6-11-8-20-9-21-11)18(27)23-4-2-3-15(23)16(19)25/h8-10,13-15H,2-7H2,1H3,(H2,19,25)(H,20,21)(H,22,26)/t10-,13+,14+,15+/m1/s1
InChIKey
MVRLGJKFVUDFCR-KJEVXHAQSA-N
Compound name
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(1S,2R)-2-methyl-4-oxocyclopentanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

238
Patents

375.19064 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19792 188.3
[M+Na]+ 398.17986 189.3
[M-H]- 374.18336 192.9
[M+NH4]+ 393.22446 199.0
[M+K]+ 414.15380 187.5
[M+H-H2O]+ 358.18790 179.6
[M+HCOO]- 420.18884 203.0
[M+CH3COO]- 434.20449 218.3
[M+Na-2H]- 396.16531 179.4
[M]+ 375.19009 182.1
[M]- 375.19119 182.1
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

No patent data available for this compound.