CID 853492

382652-62-2

Structural Information

Molecular Formula
C19H18N2O3
SMILES
C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18N2O3/c22-17(20-13-14-7-2-1-3-8-14)11-6-12-21-18(23)15-9-4-5-10-16(15)19(21)24/h1-5,7-10H,6,11-13H2,(H,20,22)
InChIKey
WVVQENCVZJJVJL-UHFFFAOYSA-N
Compound name
N-benzyl-4-(1,3-dioxoisoindol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

322.13174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 175.3
[M+Na]+ 345.120958 182.1
[M-H]- 321.124464 181.4
[M+NH4]+ 340.165563 190.4
[M+K]+ 361.094898 177.0
[M+H-H2O]+ 305.129000 166.7
[M+HCOO]- 367.129941 197.0
[M+CH3COO]- 381.145591 209.9
[M+Na-2H]- 343.106406 177.5
[M]+ 322.13119142 176.6
[M]- 322.13228858 176.6
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.