CID 3932

Linopirdine

Structural Information

Molecular Formula
C26H21N3O
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5
InChI
InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
InChIKey
YEJCDKJIEMIWRQ-UHFFFAOYSA-N
Compound name
1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

232
References

2204
Patents

391.16846 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17574 198.1
[M+Na]+ 414.15768 206.0
[M-H]- 390.16118 207.4
[M+NH4]+ 409.20228 208.6
[M+K]+ 430.13162 197.3
[M+H-H2O]+ 374.16572 184.2
[M+HCOO]- 436.16666 215.9
[M+CH3COO]- 450.18231 206.8
[M+Na-2H]- 412.14313 201.4
[M]+ 391.16791 197.0
[M]- 391.16901 197.0
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