CID 68709

Cicarperone

Structural Information

Molecular Formula
C20H27FN2O3
SMILES
C1CCC2C(C1)C(CCN2CCCC(=O)C3=CC=C(C=C3)F)OC(=O)N
InChI
InChI=1S/C20H27FN2O3/c21-15-9-7-14(8-10-15)18(24)6-3-12-23-13-11-19(26-20(22)25)16-4-1-2-5-17(16)23/h7-10,16-17,19H,1-6,11-13H2,(H2,22,25)
InChIKey
RVPQELWEPXXXPC-UHFFFAOYSA-N
Compound name
[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

28
Patents

362.20056 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.207836 187.4
[M+Na]+ 385.189778 189.2
[M-H]- 361.193284 189.4
[M+NH4]+ 380.234383 198.1
[M+K]+ 401.163718 184.9
[M+H-H2O]+ 345.197820 176.9
[M+HCOO]- 407.198761 199.0
[M+CH3COO]- 421.214411 218.5
[M+Na-2H]- 383.175226 184.9
[M]+ 362.20001142 180.5
[M]- 362.20110858 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe