CID 3047309

F 1419

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCC(C1=CC=CC=C1)C(=O)NCCN2CCCC2
InChI
InChI=1S/C16H24N2O/c1-2-15(14-8-4-3-5-9-14)16(19)17-10-13-18-11-6-7-12-18/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,17,19)
InChIKey
NQRADKZWOUSTQL-UHFFFAOYSA-N
Compound name
2-phenyl-N-(2-pyrrolidin-1-ylethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.18887 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 165.2
[M+Na]+ 283.17809 167.5
[M-H]- 259.18159 169.0
[M+NH4]+ 278.22269 181.3
[M+K]+ 299.15203 164.5
[M+H-H2O]+ 243.18613 156.5
[M+HCOO]- 305.18707 184.9
[M+CH3COO]- 319.20272 198.3
[M+Na-2H]- 281.16354 165.6
[M]+ 260.18832 162.0
[M]- 260.18942 162.0
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

patents stripe