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 171.7
[M+Na]+ 317.19882 174.9
[M-H]- 293.20232 178.6
[M+NH4]+ 312.24342 186.4
[M+K]+ 333.17276 169.2
[M+H-H2O]+ 277.20686 161.7
[M+HCOO]- 339.20780 193.1
[M+CH3COO]- 353.22345 181.5
[M+Na-2H]- 315.18427 174.1
[M]+ 294.20905 168.3
[M]- 294.21015 168.3
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.