CID 133021

Licofelone

Structural Information

Molecular Formula
C23H22ClNO2
SMILES
CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C
InChI
InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
InChIKey
UAWXGRJVZSAUSZ-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

184
References

3915
Patents

379.1339 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14118 192.7
[M+Na]+ 402.12312 202.6
[M-H]- 378.12662 201.8
[M+NH4]+ 397.16772 210.3
[M+K]+ 418.09706 194.7
[M+H-H2O]+ 362.13116 185.5
[M+HCOO]- 424.13210 207.5
[M+CH3COO]- 438.14775 203.5
[M+Na-2H]- 400.10857 190.1
[M]+ 379.13335 196.1
[M]- 379.13445 196.1
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.