CID 215458

35706-87-7

Structural Information

Molecular Formula
C22H29NO3
SMILES
CC(CN1CCCC1)C(C2=CC(=CC=C2)OC)(C3=CC(=CC=C3)OC)O
InChI
InChI=1S/C22H29NO3/c1-17(16-23-12-4-5-13-23)22(24,18-8-6-10-20(14-18)25-2)19-9-7-11-21(15-19)26-3/h6-11,14-15,17,24H,4-5,12-13,16H2,1-3H3
InChIKey
DAUWACQTTPETLM-UHFFFAOYSA-N
Compound name
1,1-bis(3-methoxyphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 187.9
[M+Na]+ 378.20397 191.2
[M-H]- 354.20747 194.1
[M+NH4]+ 373.24857 199.8
[M+K]+ 394.17791 187.3
[M+H-H2O]+ 338.21201 178.9
[M+HCOO]- 400.21295 203.9
[M+CH3COO]- 414.22860 212.0
[M+Na-2H]- 376.18942 187.5
[M]+ 355.21420 187.6
[M]- 355.21530 187.6
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.