CID 68696

Lr 511

Structural Information

Molecular Formula
C22H24FN3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC3=C(NC(=O)O3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24FN3O3/c1-28-19-5-3-2-4-18(19)26-14-12-25(13-15-26)11-10-20-21(24-22(27)29-20)16-6-8-17(23)9-7-16/h2-9H,10-15H2,1H3,(H,24,27)
InChIKey
FCMGKQUKZIJJSH-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

35
Patents

397.18018 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.187456 196.0
[M+Na]+ 420.169398 202.7
[M-H]- 396.172904 202.6
[M+NH4]+ 415.214003 202.1
[M+K]+ 436.143338 196.6
[M+H-H2O]+ 380.177440 183.2
[M+HCOO]- 442.178381 209.7
[M+CH3COO]- 456.194031 203.9
[M+Na-2H]- 418.154846 194.1
[M]+ 397.17963142 193.7
[M]- 397.18072858 193.7
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