CID 30590

2-biphenylamine, n-(4-(1-pyrrolidinyl)butyl)-, oxalate

Structural Information

Molecular Formula
C20H26N2
SMILES
C1CCN(C1)CCCCNC2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C20H26N2/c1-2-10-18(11-3-1)19-12-4-5-13-20(19)21-14-6-7-15-22-16-8-9-17-22/h1-5,10-13,21H,6-9,14-17H2
InChIKey
FMDNLOWEQXTPFG-UHFFFAOYSA-N
Compound name
2-phenyl-N-(4-pyrrolidin-1-ylbutyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 175.4
[M+Na]+ 317.19882 188.2
[M+NH4]+ 312.24342 184.5
[M+K]+ 333.17276 180.0
[M-H]- 293.20232 182.3
[M+Na-2H]- 315.18427 185.0
[M]+ 294.20905 179.2
[M]- 294.21015 179.2
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.