CID 43615

Benzamide, n,n-diethyl-4-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2h-isoindol-2-yl)-

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)CCCC3
InChI
InChI=1S/C19H22N2O3/c1-3-20(4-2)17(22)13-9-11-14(12-10-13)21-18(23)15-7-5-6-8-16(15)19(21)24/h9-12H,3-8H2,1-2H3
InChIKey
JRBLVDGKBLSAKU-UHFFFAOYSA-N
Compound name
4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 177.3
[M+Na]+ 349.15228 183.1
[M-H]- 325.15578 184.5
[M+NH4]+ 344.19688 193.0
[M+K]+ 365.12622 179.8
[M+H-H2O]+ 309.16032 169.0
[M+HCOO]- 371.16126 196.5
[M+CH3COO]- 385.17691 215.2
[M+Na-2H]- 347.13773 176.2
[M]+ 326.16251 177.4
[M]- 326.16361 177.4
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

No patent data available for this compound.