CID 2762595

N-succinimidyl 4-benzoylbenzoate

Structural Information

Molecular Formula
C18H13NO5
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H13NO5/c20-15-10-11-16(21)19(15)24-18(23)14-8-6-13(7-9-14)17(22)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
MVQNJLJLEGZFGP-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

323.07938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.086656 171.1
[M+Na]+ 346.068598 177.8
[M-H]- 322.072104 179.8
[M+NH4]+ 341.113203 184.7
[M+K]+ 362.042538 174.6
[M+H-H2O]+ 306.076640 162.3
[M+HCOO]- 368.077581 191.8
[M+CH3COO]- 382.093231 205.0
[M+Na-2H]- 344.054046 170.7
[M]+ 323.07883142 171.5
[M]- 323.07992858 171.5
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

patents stripe