CID 3040750

Brn 1187970

Structural Information

Molecular Formula
C27H35FN4O2
SMILES
CCN(CC)CCN1C(=C(OC1=O)CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C27H35FN4O2/c1-3-29(4-2)18-21-32-26(22-10-12-23(28)13-11-22)25(34-27(32)33)14-15-30-16-19-31(20-17-30)24-8-6-5-7-9-24/h5-13H,3-4,14-21H2,1-2H3
InChIKey
IQGZVIRZGHNHBK-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

466.2744 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.28168 218.6
[M+Na]+ 489.26362 222.7
[M-H]- 465.26712 226.8
[M+NH4]+ 484.30822 222.7
[M+K]+ 505.23756 217.0
[M+H-H2O]+ 449.27166 204.0
[M+HCOO]- 511.27260 233.2
[M+CH3COO]- 525.28825 241.2
[M+Na-2H]- 487.24907 214.3
[M]+ 466.27385 218.7
[M]- 466.27495 218.7
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

No patent data available for this compound.