CID 374521

Nsc652272

Structural Information

Molecular Formula
C18H15NO4
SMILES
COC(=O)C1CC2(C(=O)C3=CC=CC=C3N2O1)C4=CC=CC=C4
InChI
InChI=1S/C18H15NO4/c1-22-17(21)15-11-18(12-7-3-2-4-8-12)16(20)13-9-5-6-10-14(13)19(18)23-15/h2-10,15H,11H2,1H3
InChIKey
GFQYNECCRXYLTN-UHFFFAOYSA-N
Compound name
methyl 4-oxo-3a-phenyl-2,3-dihydro-[1,2]oxazolo[2,3-a]indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1001 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 169.6
[M+Na]+ 332.08932 178.8
[M-H]- 308.09282 178.1
[M+NH4]+ 327.13392 189.1
[M+K]+ 348.06326 176.0
[M+H-H2O]+ 292.09736 163.0
[M+HCOO]- 354.09830 188.8
[M+CH3COO]- 368.11395 182.0
[M+Na-2H]- 330.07477 172.4
[M]+ 309.09955 172.6
[M]- 309.10065 172.6
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.