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]+ 299.17540 170.5
[M+Na]+ 321.15734 178.7
[M-H]- 297.16084 178.5
[M+NH4]+ 316.20194 188.2
[M+K]+ 337.13128 175.1
[M+H-H2O]+ 281.16538 162.8
[M+HCOO]- 343.16632 190.6
[M+CH3COO]- 357.18197 213.1
[M+Na-2H]- 319.14279 169.5
[M]+ 298.16757 171.1
[M]- 298.16867 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.