CID 497784

Chembl306453

Structural Information

Molecular Formula
C22H20N4O4
SMILES
CC(=O)N(C)C1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC
InChI
InChI=1S/C22H20N4O4/c1-14(27)26(2)18-7-5-4-6-16(18)21-12-24-22(30-21)25-15-8-9-17(19(10-15)28-3)20-11-23-13-29-20/h4-13H,1-3H3,(H,24,25)
InChIKey
AYJBNLVGCXRXRA-UHFFFAOYSA-N
Compound name
N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

404.14847 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15575 195.4
[M+Na]+ 427.13769 203.2
[M-H]- 403.14119 210.1
[M+NH4]+ 422.18229 203.8
[M+K]+ 443.11163 202.2
[M+H-H2O]+ 387.14573 185.2
[M+HCOO]- 449.14667 220.4
[M+CH3COO]- 463.16232 206.7
[M+Na-2H]- 425.12314 196.8
[M]+ 404.14792 202.9
[M]- 404.14902 202.9
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.