CID 135435432

(4z)-4-(1h-indol-3-ylmethylene)-2-phenyl-1,3-oxazol-5(4h)-one

Structural Information

Molecular Formula
C18H12N2O2
SMILES
C1=CC=C(C=C1)C2=NC(=C(O2)O)/C=C\3/C=NC4=CC=CC=C43
InChI
InChI=1S/C18H12N2O2/c21-18-16(20-17(22-18)12-6-2-1-3-7-12)10-13-11-19-15-9-5-4-8-14(13)15/h1-11,21H/b13-10-
InChIKey
ZTKMQAKQDWNBLA-RAXLEYEMSA-N
Compound name
4-[(E)-indol-3-ylidenemethyl]-2-phenyl-1,3-oxazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.08987 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09715 164.6
[M+Na]+ 311.07909 174.7
[M-H]- 287.08259 173.2
[M+NH4]+ 306.12369 179.9
[M+K]+ 327.05303 169.5
[M+H-H2O]+ 271.08713 156.4
[M+HCOO]- 333.08807 185.9
[M+CH3COO]- 347.10372 177.0
[M+Na-2H]- 309.06454 167.8
[M]+ 288.08932 166.0
[M]- 288.09042 166.0
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.