CID 497786

Chembl63158

Structural Information

Molecular Formula
C24H25N5O4
SMILES
CN(C)CC(=O)N(C)C1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC
InChI
InChI=1S/C24H25N5O4/c1-28(2)14-23(30)29(3)19-8-6-5-7-17(19)22-13-26-24(33-22)27-16-9-10-18(20(11-16)31-4)21-12-25-15-32-21/h5-13,15H,14H2,1-4H3,(H,26,27)
InChIKey
PGIBPNJYIYEHKG-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-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

16
Patents

447.19064 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.19792 208.6
[M+Na]+ 470.17986 214.4
[M-H]- 446.18336 224.3
[M+NH4]+ 465.22446 215.4
[M+K]+ 486.15380 214.6
[M+H-H2O]+ 430.18790 197.4
[M+HCOO]- 492.18884 234.2
[M+CH3COO]- 506.20449 242.8
[M+Na-2H]- 468.16531 209.0
[M]+ 447.19009 217.2
[M]- 447.19119 217.2
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.