CID 497783

Chembl65826

Structural Information

Molecular Formula
C21H18N4O4
SMILES
CC(=O)NC1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC
InChI
InChI=1S/C21H18N4O4/c1-13(26)24-17-6-4-3-5-15(17)20-11-23-21(29-20)25-14-7-8-16(18(9-14)27-2)19-10-22-12-28-19/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKey
RQAPGWNZVOGCLB-UHFFFAOYSA-N
Compound name
N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.1328 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14008 190.0
[M+Na]+ 413.12202 198.2
[M-H]- 389.12552 203.4
[M+NH4]+ 408.16662 198.4
[M+K]+ 429.09596 196.0
[M+H-H2O]+ 373.13006 180.0
[M+HCOO]- 435.13100 214.8
[M+CH3COO]- 449.14665 201.2
[M+Na-2H]- 411.10747 192.6
[M]+ 390.13225 196.0
[M]- 390.13335 196.0
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.