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]+ 268.169596 163.6
[M+Na]+ 290.151538 169.4
[M-H]- 266.155044 171.4
[M+NH4]+ 285.196143 180.0
[M+K]+ 306.125478 164.8
[M+H-H2O]+ 250.159580 154.5
[M+HCOO]- 312.160521 184.8
[M+CH3COO]- 326.176171 175.0
[M+Na-2H]- 288.136986 165.6
[M]+ 267.16177142 161.9
[M]- 267.16286858 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.