CID 121116

1465-01-6

Structural Information

Molecular Formula
C16H20N2O
SMILES
C1CCN(CC1)CC#CCNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H20N2O/c19-16(15-9-3-1-4-10-15)17-11-5-8-14-18-12-6-2-7-13-18/h1,3-4,9-10H,2,6-7,11-14H2,(H,17,19)
InChIKey
FDIVNQXECMIKLN-UHFFFAOYSA-N
Compound name
N-(4-piperidin-1-ylbut-2-ynyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.164836 162.8
[M+Na]+ 279.146778 168.1
[M-H]- 255.150284 164.1
[M+NH4]+ 274.191383 175.3
[M+K]+ 295.120718 161.7
[M+H-H2O]+ 239.154820 148.0
[M+HCOO]- 301.155761 175.8
[M+CH3COO]- 315.171411 201.6
[M+Na-2H]- 277.132226 164.9
[M]+ 256.15701142 152.1
[M]- 256.15810858 152.1
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.