CID 3050613

3-pyrrolidino-n-methyl-4-ethoxybiphenyl

Structural Information

Molecular Formula
C19H23NO
SMILES
CCOC1=C(C=C(C=C1)C2=CC=CC=C2)CN3CCCC3
InChI
InChI=1S/C19H23NO/c1-2-21-19-11-10-17(16-8-4-3-5-9-16)14-18(19)15-20-12-6-7-13-20/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3
InChIKey
RWNOJEXTQKOFTD-UHFFFAOYSA-N
Compound name
1-[(2-ethoxy-5-phenylphenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 168.1
[M+Na]+ 304.167198 173.5
[M-H]- 280.170704 175.8
[M+NH4]+ 299.211803 184.0
[M+K]+ 320.141138 168.7
[M+H-H2O]+ 264.175240 158.8
[M+HCOO]- 326.176181 189.0
[M+CH3COO]- 340.191831 179.1
[M+Na-2H]- 302.152646 169.6
[M]+ 281.17743142 166.8
[M]- 281.17852858 166.8
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.