CID 374522

Nsc652273

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC(=O)C1CC2(C(=O)C3=CC=CC=C3N2O1)C4=CC=CC=C4
InChI
InChI=1S/C18H15NO3/c1-12(20)16-11-18(13-7-3-2-4-8-13)17(21)14-9-5-6-10-15(14)19(18)22-16/h2-10,16H,11H2,1H3
InChIKey
YZWBVQPLHHHLEF-UHFFFAOYSA-N
Compound name
2-acetyl-3a-phenyl-2,3-dihydro-[1,2]oxazolo[2,3-a]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1052 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 166.7
[M+Na]+ 316.09442 176.1
[M-H]- 292.09792 175.2
[M+NH4]+ 311.13902 186.9
[M+K]+ 332.06836 172.6
[M+H-H2O]+ 276.10246 160.2
[M+HCOO]- 338.10340 185.7
[M+CH3COO]- 352.11905 179.3
[M+Na-2H]- 314.07987 169.3
[M]+ 293.10465 168.3
[M]- 293.10575 168.3
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.