CID 3769772

110532-76-8

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CCC(C(=O)NC1=CC=C(C=C1)C)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18N2O3/c1-3-16(17(22)20-13-10-8-12(2)9-11-13)21-18(23)14-6-4-5-7-15(14)19(21)24/h4-11,16H,3H2,1-2H3,(H,20,22)
InChIKey
WZIGKUYZDKWLDE-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 175.9
[M+Na]+ 345.12096 187.8
[M+NH4]+ 340.16556 182.5
[M+K]+ 361.09490 183.3
[M-H]- 321.12446 178.9
[M+Na-2H]- 343.10641 181.0
[M]+ 322.13119 178.2
[M]- 322.13229 178.2
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.