CID 695435

1-acetyl-alpha-(5-oxo-2-phenyl-2-oxazolin-4-ylidene)skatole

Structural Information

Molecular Formula
C20H14N2O3
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)/C=C\3/C(=O)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H14N2O3/c1-13(23)22-12-15(16-9-5-6-10-18(16)22)11-17-20(24)25-19(21-17)14-7-3-2-4-8-14/h2-12H,1H3/b17-11-
InChIKey
SNVSWEBYYVWBGR-BOPFTXTBSA-N
Compound name
(4Z)-4-[(1-acetylindol-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.10043 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10771 176.7
[M+Na]+ 353.08965 187.2
[M-H]- 329.09315 186.9
[M+NH4]+ 348.13425 191.0
[M+K]+ 369.06359 182.5
[M+H-H2O]+ 313.09769 168.3
[M+HCOO]- 375.09863 198.2
[M+CH3COO]- 389.11428 189.0
[M+Na-2H]- 351.07510 177.3
[M]+ 330.09988 180.2
[M]- 330.10098 180.2
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

No patent data available for this compound.