CID 172972

Icopezil maleate

Structural Information

Molecular Formula
C23H25N3O2
SMILES
C1CN(CCC1CCC2=NOC3=C2C=C4CC(=O)NC4=C3)CC5=CC=CC=C5
InChI
InChI=1S/C23H25N3O2/c27-23-13-18-12-19-20(25-28-22(19)14-21(18)24-23)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)
InChIKey
MTCMTKNMZCPKLX-UHFFFAOYSA-N
Compound name
3-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydropyrrolo[3,2-f][1,2]benzoxazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1119
Patents

375.19467 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 190.2
[M+Na]+ 398.18389 196.9
[M-H]- 374.18739 196.8
[M+NH4]+ 393.22849 201.1
[M+K]+ 414.15783 190.3
[M+H-H2O]+ 358.19193 179.9
[M+HCOO]- 420.19287 203.6
[M+CH3COO]- 434.20852 198.7
[M+Na-2H]- 396.16934 189.0
[M]+ 375.19412 188.5
[M]- 375.19522 188.5
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

patents stripe