CID 108642

Einecs 259-400-0

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 168.6
[M+Na]+ 317.12606 176.1
[M-H]- 293.12956 176.3
[M+NH4]+ 312.17066 185.7
[M+K]+ 333.10000 172.0
[M+H-H2O]+ 277.13410 159.9
[M+HCOO]- 339.13504 191.8
[M+CH3COO]- 353.15069 208.6
[M+Na-2H]- 315.11151 171.6
[M]+ 294.13629 170.8
[M]- 294.13739 170.8
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