CID 497785

Chembl305977

Structural Information

Molecular Formula
C23H23N5O4
SMILES
CNCC(=O)N(C)C1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC
InChI
InChI=1S/C23H23N5O4/c1-24-13-22(29)28(2)18-7-5-4-6-16(18)21-12-26-23(32-21)27-15-8-9-17(19(10-15)30-3)20-11-25-14-31-20/h4-12,14,24H,13H2,1-3H3,(H,26,27)
InChIKey
GCXUCNABIJKMRC-UHFFFAOYSA-N
Compound name
N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-(methylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

433.17502 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.18230 203.0
[M+Na]+ 456.16424 209.2
[M-H]- 432.16774 217.4
[M+NH4]+ 451.20884 209.8
[M+K]+ 472.13818 208.2
[M+H-H2O]+ 416.17228 192.1
[M+HCOO]- 478.17322 228.6
[M+CH3COO]- 492.18887 213.2
[M+Na-2H]- 454.14969 204.8
[M]+ 433.17447 210.1
[M]- 433.17557 210.1
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.