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]+ 248.175736 159.4
[M+Na]+ 270.157678 162.7
[M-H]- 246.161184 163.5
[M+NH4]+ 265.202283 175.7
[M+K]+ 286.131618 159.8
[M+H-H2O]+ 230.165720 151.0
[M+HCOO]- 292.166661 180.2
[M+CH3COO]- 306.182311 197.9
[M+Na-2H]- 268.143126 159.7
[M]+ 247.16791142 154.2
[M]- 247.16900858 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.