CID 118865439

1-pyrrolidinecarboxylic acid, 2-[[[(3-chloro-2-pyrazinyl)methyl]amino]carbonyl]-, phenylmethyl ester, (2s)-

Structural Information

Molecular Formula
C18H19ClN4O3
SMILES
C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCC3=NC=CN=C3Cl
InChI
InChI=1S/C18H19ClN4O3/c19-16-14(20-8-9-21-16)11-22-17(24)15-7-4-10-23(15)18(25)26-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,15H,4,7,10-12H2,(H,22,24)
InChIKey
FGJFNCMHEQQNJP-UHFFFAOYSA-N
Compound name
benzyl 2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

374.11456 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12184 185.6
[M+Na]+ 397.10378 197.3
[M+NH4]+ 392.14838 191.0
[M+K]+ 413.07772 192.9
[M-H]- 373.10728 188.5
[M+Na-2H]- 395.08923 192.5
[M]+ 374.11401 188.0
[M]- 374.11511 188.0
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