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

21
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

literature stripe

Patent stripe

patents stripe