CID 382816

146529-56-8

Structural Information

Molecular Formula
C18H20N4O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=CC=N4)OC3=O
InChI
InChI=1S/C18H20N4O3/c1-24-15-6-3-2-5-14(15)21-11-9-20(10-12-21)13-22-17-16(25-18(22)23)7-4-8-19-17/h2-8H,9-13H2,1H3
InChIKey
ZRAAFBZDDVUGQP-UHFFFAOYSA-N
Compound name
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

340.15353 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16081 179.6
[M+Na]+ 363.14275 195.4
[M+NH4]+ 358.18735 186.1
[M+K]+ 379.11669 190.1
[M-H]- 339.14625 184.8
[M+Na-2H]- 361.12820 187.1
[M]+ 340.15298 183.3
[M]- 340.15408 183.3
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