CID 168473

Gitan

Structural Information

Molecular Formula
C20H24N2O
SMILES
CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2O/c1-3-21(4-2)14-15-22-19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)20(22)23/h5-13,19H,3-4,14-15H2,1-2H3
InChIKey
ZNYIBRGXWAWBAL-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-3-phenyl-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

308.18887 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 176.0
[M+Na]+ 331.17809 182.4
[M-H]- 307.18159 183.1
[M+NH4]+ 326.22269 192.6
[M+K]+ 347.15203 177.8
[M+H-H2O]+ 291.18613 166.9
[M+HCOO]- 353.18707 198.0
[M+CH3COO]- 367.20272 213.3
[M+Na-2H]- 329.16354 177.7
[M]+ 308.18832 178.1
[M]- 308.18942 178.1
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