CID 145913681

2377036-10-5

Structural Information

Molecular Formula
C23H25NO4
SMILES
CC1(CN(CC1CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C
InChI
InChI=1S/C23H25NO4/c1-23(2)14-24(12-15(23)11-21(25)26)22(27)28-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20H,11-14H2,1-2H3,(H,25,26)
InChIKey
GFUUWFWTZHOHSJ-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 193.5
[M+Na]+ 402.16756 200.2
[M-H]- 378.17106 199.5
[M+NH4]+ 397.21216 210.8
[M+K]+ 418.14150 195.3
[M+H-H2O]+ 362.17560 186.7
[M+HCOO]- 424.17654 209.2
[M+CH3COO]- 438.19219 216.4
[M+Na-2H]- 400.15301 191.1
[M]+ 379.17779 195.4
[M]- 379.17889 195.4
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.