CID 3067485

2-pyrrolidinecarboxamide, n-(4-hexahydro-1(2h)-azocinyl)-2-butynyl-5-oxo-, (s)-

Structural Information

Molecular Formula
C16H25N3O2
SMILES
C1CCCN(CCC1)CC#CCNC(=O)[C@@H]2CCC(=O)N2
InChI
InChI=1S/C16H25N3O2/c20-15-9-8-14(18-15)16(21)17-10-4-7-13-19-11-5-2-1-3-6-12-19/h14H,1-3,5-6,8-13H2,(H,17,21)(H,18,20)/t14-/m0/s1
InChIKey
NIRVYQMDGPOHMF-AWEZNQCLSA-N
Compound name
(2S)-N-[4-(azocan-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 161.6
[M+Na]+ 314.18389 164.9
[M-H]- 290.18739 161.3
[M+NH4]+ 309.22849 166.7
[M+K]+ 330.15783 163.2
[M+H-H2O]+ 274.19193 154.0
[M+HCOO]- 336.19287 165.5
[M+CH3COO]- 350.20852 231.5
[M+Na-2H]- 312.16934 158.5
[M]+ 291.19412 155.5
[M]- 291.19522 155.5
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.