CID 497792

Bms-337197

Structural Information

Molecular Formula
C26H27N5O5
SMILES
CN(C1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC)C(=O)CN5CCOCC5
InChI
InChI=1S/C26H27N5O5/c1-30(25(32)16-31-9-11-34-12-10-31)21-6-4-3-5-19(21)24-15-28-26(36-24)29-18-7-8-20(22(13-18)33-2)23-14-27-17-35-23/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29)
InChIKey
GLOULEOFVQQCTE-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-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

35
Patents

489.20123 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.20851 214.0
[M+Na]+ 512.19045 218.0
[M-H]- 488.19395 229.4
[M+NH4]+ 507.23505 215.2
[M+K]+ 528.16439 217.8
[M+H-H2O]+ 472.19849 202.2
[M+HCOO]- 534.19943 232.1
[M+CH3COO]- 548.21508 221.9
[M+Na-2H]- 510.17590 212.7
[M]+ 489.20068 218.2
[M]- 489.20178 218.2
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.