CID 983787

2-(4-bromophenoxy)-n-(2-methyl-3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)acetamide

Structural Information

Molecular Formula
C21H16BrN3O3
SMILES
CC1=C(C=CC=C1NC(=O)COC2=CC=C(C=C2)Br)C3=NC4=C(O3)C=CC=N4
InChI
InChI=1S/C21H16BrN3O3/c1-13-16(21-25-20-18(28-21)6-3-11-23-20)4-2-5-17(13)24-19(26)12-27-15-9-7-14(22)8-10-15/h2-11H,12H2,1H3,(H,24,26)
InChIKey
CDOHGXATPXGOPQ-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

437.0375 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.04478 195.5
[M+Na]+ 460.02672 206.8
[M-H]- 436.03022 207.1
[M+NH4]+ 455.07132 207.1
[M+K]+ 476.00066 195.7
[M+H-H2O]+ 420.03476 191.8
[M+HCOO]- 482.03570 215.1
[M+CH3COO]- 496.05135 207.5
[M+Na-2H]- 458.01217 200.7
[M]+ 437.03695 218.5
[M]- 437.03805 218.5
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.