CID 108642

54939-53-6

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CCN(CCN1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c1-2-19(14-8-4-3-5-9-14)12-13-20-17(21)15-10-6-7-11-16(15)18(20)22/h3-11H,2,12-13H2,1H3
InChIKey
JXOIGNIYEXYEGW-UHFFFAOYSA-N
Compound name
2-[2-(N-ethylanilino)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

294.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 169.2
[M+Na]+ 317.12606 182.3
[M+NH4]+ 312.17066 177.4
[M+K]+ 333.10000 176.3
[M-H]- 293.12956 173.6
[M+Na-2H]- 315.11151 176.2
[M]+ 294.13629 172.2
[M]- 294.13739 172.2
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