CID 3021704

Cor 3441

Structural Information

Molecular Formula
C27H29N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC3=CC=CC=C3NC4C5=CC=CC=C5C(=O)O4
InChI
InChI=1S/C27H29N3O3/c1-32-25-13-7-6-12-24(25)30-18-16-29(17-19-30)15-14-20-8-2-5-11-23(20)28-26-21-9-3-4-10-22(21)27(31)33-26/h2-13,26,28H,14-19H2,1H3
InChIKey
DCUWYKQMRQDZIR-UHFFFAOYSA-N
Compound name
3-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]anilino]-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.2209 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.22818 211.6
[M+Na]+ 466.21012 226.0
[M+NH4]+ 461.25472 218.8
[M+K]+ 482.18406 218.7
[M-H]- 442.21362 220.8
[M+Na-2H]- 464.19557 219.3
[M]+ 443.22035 216.3
[M]- 443.22145 216.3
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

No patent data available for this compound.