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]+ 323.13902 175.3
[M+Na]+ 345.12096 182.1
[M-H]- 321.12446 181.4
[M+NH4]+ 340.16556 190.4
[M+K]+ 361.09490 177.0
[M+H-H2O]+ 305.12900 166.7
[M+HCOO]- 367.12994 197.0
[M+CH3COO]- 381.14559 209.9
[M+Na-2H]- 343.10641 177.5
[M]+ 322.13119 176.6
[M]- 322.13229 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.