CID 3021705

Cor 3449

Structural Information

Molecular Formula
C27H29N3O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC3=CC=CC=C3NC4C5=CC=CC=C5C(=O)O4
InChI
InChI=1S/C27H29N3O2/c1-20-8-2-7-13-25(20)30-18-16-29(17-19-30)15-14-21-9-3-6-12-24(21)28-26-22-10-4-5-11-23(22)27(31)32-26/h2-13,26,28H,14-19H2,1H3
InChIKey
FGTKAMAKBPKOGI-UHFFFAOYSA-N
Compound name
3-[2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]anilino]-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

427.22598 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.23326 208.6
[M+Na]+ 450.21520 223.6
[M+NH4]+ 445.25980 216.4
[M+K]+ 466.18914 215.7
[M-H]- 426.21870 218.3
[M+Na-2H]- 448.20065 216.8
[M]+ 427.22543 213.6
[M]- 427.22653 213.6
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