CID 338466

81639-01-2

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC1CCCC(N1CC#CCNC(=O)C2CCC(=O)N2)C
InChI
InChI=1S/C16H25N3O2/c1-12-6-5-7-13(2)19(12)11-4-3-10-17-16(21)14-8-9-15(20)18-14/h12-14H,5-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKey
BPICSEKEIWIDFC-UHFFFAOYSA-N
Compound name
N-[4-(2,6-dimethylpiperidin-1-yl)but-2-ynyl]-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 170.2
[M+Na]+ 314.18389 175.5
[M-H]- 290.18739 169.4
[M+NH4]+ 309.22849 181.8
[M+K]+ 330.15783 169.5
[M+H-H2O]+ 274.19193 155.6
[M+HCOO]- 336.19287 179.0
[M+CH3COO]- 350.20852 206.8
[M+Na-2H]- 312.16934 166.2
[M]+ 291.19412 158.2
[M]- 291.19522 158.2
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.