CID 3077458

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

Structural Information

Molecular Formula
C18H19ClN4O2
SMILES
C1CN(CCN1CCN2C3=C(C=CC=N3)OC2=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H19ClN4O2/c19-14-3-5-15(6-4-14)22-11-8-21(9-12-22)10-13-23-17-16(25-18(23)24)2-1-7-20-17/h1-7H,8-13H2
InChIKey
VOXUJOBWWGXKMJ-UHFFFAOYSA-N
Compound name
3-[2-[4-(4-chlorophenyl)piperazin-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

358.11966 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12694 184.2
[M+Na]+ 381.10888 194.0
[M-H]- 357.11238 189.8
[M+NH4]+ 376.15348 193.3
[M+K]+ 397.08282 187.6
[M+H-H2O]+ 341.11692 172.2
[M+HCOO]- 403.11786 195.2
[M+CH3COO]- 417.13351 193.7
[M+Na-2H]- 379.09433 186.6
[M]+ 358.11911 186.7
[M]- 358.12021 186.7
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