CID 3077459

Oxazolo(4,5-b)pyridin-2(3h)-one, 5-methyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CC1=NC2=C(C=C1)OC(=O)N2CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C19H22N4O2/c1-15-7-8-17-18(20-15)23(19(24)25-17)14-11-21-9-12-22(13-10-21)16-5-3-2-4-6-16/h2-8H,9-14H2,1H3
InChIKey
VCEKWDVMSQJQSP-UHFFFAOYSA-N
Compound name
5-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

338.1743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 181.0
[M+Na]+ 361.16352 197.0
[M+NH4]+ 356.20812 187.9
[M+K]+ 377.13746 191.0
[M-H]- 337.16702 186.5
[M+Na-2H]- 359.14897 188.6
[M]+ 338.17375 184.9
[M]- 338.17485 184.9
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