CID 53413294

935739-41-6

Structural Information

Molecular Formula
C24H20N2O2
SMILES
C1C2=CC=CC=C2C(=O)N1CC3=CC(=CC=C3)CN4CC5=CC=CC=C5C4=O
InChI
InChI=1S/C24H20N2O2/c27-23-21-10-3-1-8-19(21)15-25(23)13-17-6-5-7-18(12-17)14-26-16-20-9-2-4-11-22(20)24(26)28/h1-12H,13-16H2
InChIKey
XVMPZTINNDQPHX-UHFFFAOYSA-N
Compound name
2-[[3-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]methyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

368.15247 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15975 190.1
[M+Na]+ 391.14169 198.7
[M-H]- 367.14519 199.5
[M+NH4]+ 386.18629 204.8
[M+K]+ 407.11563 191.2
[M+H-H2O]+ 351.14973 180.3
[M+HCOO]- 413.15067 208.5
[M+CH3COO]- 427.16632 200.3
[M+Na-2H]- 389.12714 188.9
[M]+ 368.15192 190.4
[M]- 368.15302 190.4
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.