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]+ 310.107376 169.6
[M+Na]+ 332.089318 178.8
[M-H]- 308.092824 178.1
[M+NH4]+ 327.133923 189.1
[M+K]+ 348.063258 176.0
[M+H-H2O]+ 292.097360 163.0
[M+HCOO]- 354.098301 188.8
[M+CH3COO]- 368.113951 182.0
[M+Na-2H]- 330.074766 172.4
[M]+ 309.09955142 172.6
[M]- 309.10064858 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.