CID 497782

Chembl65962

Structural Information

Molecular Formula
C21H19N3O3
SMILES
CCC1=C(OC(=N1)NC2=CC(=C(C=C2)C3=CN=CO3)OC)C4=CC=CC=C4
InChI
InChI=1S/C21H19N3O3/c1-3-17-20(14-7-5-4-6-8-14)27-21(24-17)23-15-9-10-16(18(11-15)25-2)19-12-22-13-26-19/h4-13H,3H2,1-2H3,(H,23,24)
InChIKey
RGYQFOKQYOKDET-UHFFFAOYSA-N
Compound name
4-ethyl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

361.14264 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14992 183.7
[M+Na]+ 384.13186 193.3
[M-H]- 360.13536 196.8
[M+NH4]+ 379.17646 194.0
[M+K]+ 400.10580 190.3
[M+H-H2O]+ 344.13990 174.1
[M+HCOO]- 406.14084 208.2
[M+CH3COO]- 420.15649 195.8
[M+Na-2H]- 382.11731 186.5
[M]+ 361.14209 190.3
[M]- 361.14319 190.3
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.