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]+ 324.12303 174.9
[M+Na]+ 346.10497 182.5
[M-H]- 322.10847 181.1
[M+NH4]+ 341.14957 190.2
[M+K]+ 362.07891 178.1
[M+H-H2O]+ 306.11301 166.5
[M+HCOO]- 368.11395 195.7
[M+CH3COO]- 382.12960 207.0
[M+Na-2H]- 344.09042 176.5
[M]+ 323.11520 178.3
[M]- 323.11630 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.