CID 199363

4071-26-5

Structural Information

Molecular Formula
C27H29NO2
SMILES
CC(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H29NO2/c1-22(21-28-19-11-12-20-28)27(24-15-7-3-8-16-24,25-17-9-4-10-18-25)30-26(29)23-13-5-2-6-14-23/h2-10,13-18,22H,11-12,19-21H2,1H3
InChIKey
ZHYDVEKKSCVRLE-UHFFFAOYSA-N
Compound name
(2-methyl-1,1-diphenyl-3-pyrrolidin-1-ylpropyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.21982 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.22710 199.6
[M+Na]+ 422.20904 200.6
[M-H]- 398.21254 209.0
[M+NH4]+ 417.25364 208.9
[M+K]+ 438.18298 195.2
[M+H-H2O]+ 382.21708 188.5
[M+HCOO]- 444.21802 215.5
[M+CH3COO]- 458.23367 220.3
[M+Na-2H]- 420.19449 199.1
[M]+ 399.21927 196.2
[M]- 399.22037 196.2
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.