CID 3050612

3-pyrrolidino-n-methyl-4-methoxybiphenyl

Structural Information

Molecular Formula
C18H21NO
SMILES
COC1=C(C=C(C=C1)C2=CC=CC=C2)CN3CCCC3
InChI
InChI=1S/C18H21NO/c1-20-18-10-9-16(15-7-3-2-4-8-15)13-17(18)14-19-11-5-6-12-19/h2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKey
XCZQEISPIDIEIT-UHFFFAOYSA-N
Compound name
1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.6
[M+Na]+ 290.15154 169.4
[M-H]- 266.15504 171.4
[M+NH4]+ 285.19614 180.0
[M+K]+ 306.12548 164.8
[M+H-H2O]+ 250.15958 154.5
[M+HCOO]- 312.16052 184.8
[M+CH3COO]- 326.17617 175.0
[M+Na-2H]- 288.13699 165.6
[M]+ 267.16177 161.9
[M]- 267.16287 161.9
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.