CID 3067484

2-pyrrolidinecarboxamide, 5-oxo-n-(4-(1-piperidinyl)-2-butynyl)-, (s)-

Structural Information

Molecular Formula
C14H21N3O2
SMILES
C1CCN(CC1)CC#CCNC(=O)[C@@H]2CCC(=O)N2
InChI
InChI=1S/C14H21N3O2/c18-13-7-6-12(16-13)14(19)15-8-2-5-11-17-9-3-1-4-10-17/h12H,1,3-4,6-11H2,(H,15,19)(H,16,18)/t12-/m0/s1
InChIKey
SDINBRLAAMDGOO-LBPRGKRZSA-N
Compound name
(2S)-5-oxo-N-(4-piperidin-1-ylbut-2-ynyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 162.5
[M+Na]+ 286.15262 166.9
[M-H]- 262.15612 161.3
[M+NH4]+ 281.19722 174.5
[M+K]+ 302.12656 161.2
[M+H-H2O]+ 246.16066 147.5
[M+HCOO]- 308.16160 171.9
[M+CH3COO]- 322.17725 199.3
[M+Na-2H]- 284.13807 160.6
[M]+ 263.16285 149.2
[M]- 263.16395 149.2
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.