CID 3025266

3-(diphenylmethoxy)-1-butylpyrrolidine

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCCN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-2-3-15-22-16-14-20(17-22)23-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,2-3,14-17H2,1H3
InChIKey
QFGBDMAJXGJVDT-UHFFFAOYSA-N
Compound name
3-benzhydryloxy-1-butylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.20926 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.6
[M+Na]+ 332.19848 180.8
[M-H]- 308.20198 184.5
[M+NH4]+ 327.24308 191.8
[M+K]+ 348.17242 176.0
[M+H-H2O]+ 292.20652 167.7
[M+HCOO]- 354.20746 196.7
[M+CH3COO]- 368.22311 205.9
[M+Na-2H]- 330.18393 177.5
[M]+ 309.20871 175.9
[M]- 309.20981 175.9
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

patents stripe