CID 11175936

475480-88-7

Structural Information

Molecular Formula
C21H17NO3S
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4C=CSC4=C(C=C3)C=O
InChI
InChI=1S/C21H17NO3S/c1-14-18(22-21(25-14)15-5-3-2-4-6-15)9-11-24-19-8-7-16(13-23)20-17(19)10-12-26-20/h2-8,10,12-13H,9,11H2,1H3
InChIKey
WAOPPOQPYOBXNE-UHFFFAOYSA-N
Compound name
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophene-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

363.09293 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10021 183.9
[M+Na]+ 386.08215 200.1
[M+NH4]+ 381.12675 192.8
[M+K]+ 402.05609 192.9
[M-H]- 362.08565 191.5
[M+Na-2H]- 384.06760 192.3
[M]+ 363.09238 189.1
[M]- 363.09348 189.1
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

patents stripe