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 175.5
[M+Na]+ 345.12096 182.8
[M-H]- 321.12446 182.1
[M+NH4]+ 340.16556 190.8
[M+K]+ 361.09490 178.4
[M+H-H2O]+ 305.12900 167.4
[M+HCOO]- 367.12994 196.1
[M+CH3COO]- 381.14559 212.1
[M+Na-2H]- 343.10641 175.8
[M]+ 322.13119 176.7
[M]- 322.13229 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.