CID 5072573

4-phthalimidobutyl benzoate

Structural Information

Molecular Formula
C19H17NO4
SMILES
C1=CC=C(C=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H17NO4/c21-17-15-10-4-5-11-16(15)18(22)20(17)12-6-7-13-24-19(23)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKey
CZWWYFLWKMDSIX-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)butyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 174.9
[M+Na]+ 346.104968 182.5
[M-H]- 322.108474 181.1
[M+NH4]+ 341.149573 190.2
[M+K]+ 362.078908 178.1
[M+H-H2O]+ 306.113010 166.5
[M+HCOO]- 368.113951 195.7
[M+CH3COO]- 382.129601 207.0
[M+Na-2H]- 344.090416 176.5
[M]+ 323.11520142 178.3
[M]- 323.11629858 178.3
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.