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]+ 323.139016 175.5
[M+Na]+ 345.120958 182.8
[M-H]- 321.124464 182.1
[M+NH4]+ 340.165563 190.8
[M+K]+ 361.094898 178.4
[M+H-H2O]+ 305.129000 167.4
[M+HCOO]- 367.129941 196.1
[M+CH3COO]- 381.145591 212.1
[M+Na-2H]- 343.106406 175.8
[M]+ 322.13119142 176.7
[M]- 322.13228858 176.7
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.