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]+ 292.201946 170.2
[M+Na]+ 314.183888 175.5
[M-H]- 290.187394 169.4
[M+NH4]+ 309.228493 181.8
[M+K]+ 330.157828 169.5
[M+H-H2O]+ 274.191930 155.6
[M+HCOO]- 336.192871 179.0
[M+CH3COO]- 350.208521 206.8
[M+Na-2H]- 312.169336 166.2
[M]+ 291.19412142 158.2
[M]- 291.19521858 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.