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]+ 282.18526 168.1
[M+Na]+ 304.16720 173.5
[M-H]- 280.17070 175.8
[M+NH4]+ 299.21180 184.0
[M+K]+ 320.14114 168.7
[M+H-H2O]+ 264.17524 158.8
[M+HCOO]- 326.17618 189.0
[M+CH3COO]- 340.19183 179.1
[M+Na-2H]- 302.15265 169.6
[M]+ 281.17743 166.8
[M]- 281.17853 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.