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]+ 264.170676 162.5
[M+Na]+ 286.152618 166.9
[M-H]- 262.156124 161.3
[M+NH4]+ 281.197223 174.5
[M+K]+ 302.126558 161.2
[M+H-H2O]+ 246.160660 147.5
[M+HCOO]- 308.161601 171.9
[M+CH3COO]- 322.177251 199.3
[M+Na-2H]- 284.138066 160.6
[M]+ 263.16285142 149.2
[M]- 263.16394858 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.