CID 137951659

1807888-10-3

Structural Information

Molecular Formula
C15H26N4O2
SMILES
CC(C)(C)N1[C@@H]([C@H](CC1=O)CN)C2=CN(N=C2)CCOC
InChI
InChI=1S/C15H26N4O2/c1-15(2,3)19-13(20)7-11(8-16)14(19)12-9-17-18(10-12)5-6-21-4/h9-11,14H,5-8,16H2,1-4H3/t11-,14+/m1/s1
InChIKey
ZJPFYXRHCUMLAM-RISCZKNCSA-N
Compound name
(4R,5S)-4-(aminomethyl)-1-tert-butyl-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.20557 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21285 171.6
[M+Na]+ 317.19479 179.3
[M+NH4]+ 312.23939 176.5
[M+K]+ 333.16873 179.2
[M-H]- 293.19829 171.4
[M+Na-2H]- 315.18024 173.6
[M]+ 294.20502 172.2
[M]- 294.20612 172.2
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.