CID 497780

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

Structural Information

Molecular Formula
C21H18N4O5
SMILES
CNOC(=O)C1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC
InChI
InChI=1S/C21H18N4O5/c1-22-30-20(26)15-6-4-3-5-14(15)19-11-24-21(29-19)25-13-7-8-16(17(9-13)27-2)18-10-23-12-28-18/h3-12,22H,1-2H3,(H,24,25)
InChIKey
ZCPHZEQZNYNLFX-UHFFFAOYSA-N
Compound name
methylamino 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

406.12772 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13500 191.9
[M+Na]+ 429.11694 199.7
[M-H]- 405.12044 205.3
[M+NH4]+ 424.16154 199.5
[M+K]+ 445.09088 198.3
[M+H-H2O]+ 389.12498 181.7
[M+HCOO]- 451.12592 216.9
[M+CH3COO]- 465.14157 203.0
[M+Na-2H]- 427.10239 194.8
[M]+ 406.12717 199.2
[M]- 406.12827 199.2
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.