CID 21797

Pyrrolifene

Structural Information

Molecular Formula
C23H29NO2
SMILES
CC(CN1CCCC1)C(CC2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C
InChI
InChI=1S/C23H29NO2/c1-19(18-24-15-9-10-16-24)23(26-20(2)25,22-13-7-4-8-14-22)17-21-11-5-3-6-12-21/h3-8,11-14,19H,9-10,15-18H2,1-2H3
InChIKey
XPSOFSIDLMRECY-UHFFFAOYSA-N
Compound name
(3-methyl-1,2-diphenyl-4-pyrrolidin-1-ylbutan-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

436
Patents

351.21982 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 188.8
[M+Na]+ 374.20904 190.4
[M-H]- 350.21254 195.4
[M+NH4]+ 369.25364 200.9
[M+K]+ 390.18298 186.4
[M+H-H2O]+ 334.21708 179.1
[M+HCOO]- 396.21802 205.0
[M+CH3COO]- 410.23367 212.5
[M+Na-2H]- 372.19449 188.2
[M]+ 351.21927 187.0
[M]- 351.22037 187.0
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.