CID 3062675

3-(p-acetoxybenzoyl)-n-acetylindole

Structural Information

Molecular Formula
C19H15NO4
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC(=O)C
InChI
InChI=1S/C19H15NO4/c1-12(21)20-11-17(16-5-3-4-6-18(16)20)19(23)14-7-9-15(10-8-14)24-13(2)22/h3-11H,1-2H3
InChIKey
QSYNROZEBZNRJI-UHFFFAOYSA-N
Compound name
[4-(1-acetylindole-3-carbonyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

321.1001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 173.2
[M+Na]+ 344.08932 182.1
[M-H]- 320.09282 180.5
[M+NH4]+ 339.13392 188.7
[M+K]+ 360.06326 178.6
[M+H-H2O]+ 304.09736 165.2
[M+HCOO]- 366.09830 194.8
[M+CH3COO]- 380.11395 207.5
[M+Na-2H]- 342.07477 174.5
[M]+ 321.09955 178.2
[M]- 321.10065 178.2
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

patents stripe