CID 497779

Dimethylamino 2-[2-(3-methoxy-4-oxazol-5-yl-anilino)oxazol-5-yl]benzoate

Structural Information

Molecular Formula
C22H20N4O5
SMILES
CN(C)OC(=O)C1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC
InChI
InChI=1S/C22H20N4O5/c1-26(2)31-21(27)16-7-5-4-6-15(16)20-12-24-22(30-20)25-14-8-9-17(18(10-14)28-3)19-11-23-13-29-19/h4-13H,1-3H3,(H,24,25)
InChIKey
YTQZACKZNWHUCE-UHFFFAOYSA-N
Compound name
dimethylamino 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.14337 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15065 197.3
[M+Na]+ 443.13259 204.8
[M-H]- 419.13609 212.0
[M+NH4]+ 438.17719 205.0
[M+K]+ 459.10653 204.6
[M+H-H2O]+ 403.14063 187.0
[M+HCOO]- 465.14157 222.4
[M+CH3COO]- 479.15722 208.5
[M+Na-2H]- 441.11804 199.0
[M]+ 420.14282 206.1
[M]- 420.14392 206.1
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

No patent data available for this compound.