CID 3021701

Cor 3430

Structural Information

Molecular Formula
C26H27N3O2
SMILES
C1CN(CCN1CCC2=CC=CC=C2NC3C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5
InChI
InChI=1S/C26H27N3O2/c30-26-23-12-6-5-11-22(23)25(31-26)27-24-13-7-4-8-20(24)14-15-28-16-18-29(19-17-28)21-9-2-1-3-10-21/h1-13,25,27H,14-19H2
InChIKey
WNKNIXLLQAOGBI-UHFFFAOYSA-N
Compound name
3-[2-[2-(4-phenylpiperazin-1-yl)ethyl]anilino]-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

413.21033 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21761 200.7
[M+Na]+ 436.19955 204.5
[M-H]- 412.20305 210.7
[M+NH4]+ 431.24415 208.1
[M+K]+ 452.17349 198.2
[M+H-H2O]+ 396.20759 188.1
[M+HCOO]- 458.20853 215.9
[M+CH3COO]- 472.22418 208.1
[M+Na-2H]- 434.18500 200.9
[M]+ 413.20978 196.6
[M]- 413.21088 196.6
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