CID 3021703

Cor 3437

Structural Information

Molecular Formula
C26H26FN3O2
SMILES
C1CN(CCN1CCC2=CC=CC=C2NC3C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)F
InChI
InChI=1S/C26H26FN3O2/c27-20-9-11-21(12-10-20)30-17-15-29(16-18-30)14-13-19-5-1-4-8-24(19)28-25-22-6-2-3-7-23(22)26(31)32-25/h1-12,25,28H,13-18H2
InChIKey
GTNJIINHRJEATC-UHFFFAOYSA-N
Compound name
3-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]anilino]-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

431.2009 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20818 205.4
[M+Na]+ 454.19012 210.3
[M-H]- 430.19362 214.6
[M+NH4]+ 449.23472 212.4
[M+K]+ 470.16406 203.5
[M+H-H2O]+ 414.19816 192.0
[M+HCOO]- 476.19910 219.6
[M+CH3COO]- 490.21475 212.5
[M+Na-2H]- 452.17557 204.2
[M]+ 431.20035 200.9
[M]- 431.20145 200.9
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

patents stripe