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]+ 292.201946 161.6
[M+Na]+ 314.183888 164.9
[M-H]- 290.187394 161.3
[M+NH4]+ 309.228493 166.7
[M+K]+ 330.157828 163.2
[M+H-H2O]+ 274.191930 154.0
[M+HCOO]- 336.192871 165.5
[M+CH3COO]- 350.208521 231.5
[M+Na-2H]- 312.169336 158.5
[M]+ 291.19412142 155.5
[M]- 291.19521858 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.