CID 47003175

3-amino-n-[3-(pyrrolidin-1-yl)phenyl]butanamide

Structural Information

Molecular Formula
C14H21N3O
SMILES
CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)N
InChI
InChI=1S/C14H21N3O/c1-11(15)9-14(18)16-12-5-4-6-13(10-12)17-7-2-3-8-17/h4-6,10-11H,2-3,7-9,15H2,1H3,(H,16,18)
InChIKey
UJFLLHGLGKOYLB-UHFFFAOYSA-N
Compound name
3-amino-N-(3-pyrrolidin-1-ylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 159.4
[M+Na]+ 270.15768 162.7
[M-H]- 246.16118 163.5
[M+NH4]+ 265.20228 175.7
[M+K]+ 286.13162 159.8
[M+H-H2O]+ 230.16572 151.0
[M+HCOO]- 292.16666 180.2
[M+CH3COO]- 306.18231 197.9
[M+Na-2H]- 268.14313 159.7
[M]+ 247.16791 154.2
[M]- 247.16901 154.2
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.