CID 2865708

314278-93-8

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)N(C)C)C
InChI
InChI=1S/C18H22N2O2/c1-11-9-15-16(10-12(11)2)18(22)20(17(15)21)14-7-5-13(6-8-14)19(3)4/h5-8,15-16H,9-10H2,1-4H3
InChIKey
FVTUEEYESFKKEX-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.16812 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 170.5
[M+Na]+ 321.157338 178.7
[M-H]- 297.160844 178.5
[M+NH4]+ 316.201943 188.2
[M+K]+ 337.131278 175.1
[M+H-H2O]+ 281.165380 162.8
[M+HCOO]- 343.166321 190.6
[M+CH3COO]- 357.181971 213.1
[M+Na-2H]- 319.142786 169.5
[M]+ 298.16757142 171.1
[M]- 298.16866858 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.