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

literature stripe

Patent stripe

patents stripe