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

64
Patents

368.15247 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.159746 190.1
[M+Na]+ 391.141688 198.7
[M-H]- 367.145194 199.5
[M+NH4]+ 386.186293 204.8
[M+K]+ 407.115628 191.2
[M+H-H2O]+ 351.149730 180.3
[M+HCOO]- 413.150671 208.5
[M+CH3COO]- 427.166321 200.3
[M+Na-2H]- 389.127136 188.9
[M]+ 368.15192142 190.4
[M]- 368.15301858 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

patents stripe