CID 204721

Benzamide, n-(4-(1-pyrrolidinyl)-2-butynyl)-

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1CCN(C1)CC#CCNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H18N2O/c18-15(14-8-2-1-3-9-14)16-10-4-5-11-17-12-6-7-13-17/h1-3,8-9H,6-7,10-13H2,(H,16,18)
InChIKey
MVWIWLWVXUBGDR-UHFFFAOYSA-N
Compound name
N-(4-pyrrolidin-1-ylbut-2-ynyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 160.2
[M+Na]+ 265.13112 166.8
[M-H]- 241.13462 161.9
[M+NH4]+ 260.17572 175.0
[M+K]+ 281.10506 160.6
[M+H-H2O]+ 225.13916 145.5
[M+HCOO]- 287.14010 175.5
[M+CH3COO]- 301.15575 198.5
[M+Na-2H]- 263.11657 161.2
[M]+ 242.14135 151.2
[M]- 242.14245 151.2
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.