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

literature stripe

Patent stripe

patents stripe