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
2
Annotation Hits

0
References

10
Patents

294.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 168.6
[M+Na]+ 317.126058 176.1
[M-H]- 293.129564 176.3
[M+NH4]+ 312.170663 185.7
[M+K]+ 333.099998 172.0
[M+H-H2O]+ 277.134100 159.9
[M+HCOO]- 339.135041 191.8
[M+CH3COO]- 353.150691 208.6
[M+Na-2H]- 315.111506 171.6
[M]+ 294.13629142 170.8
[M]- 294.13738858 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