CID 3072033

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

Structural Information

Molecular Formula
C13H18N4O2
SMILES
CN1CCN(CC1)CCN2C3=C(C=CC=N3)OC2=O
InChI
InChI=1S/C13H18N4O2/c1-15-5-7-16(8-6-15)9-10-17-12-11(19-13(17)18)3-2-4-14-12/h2-4H,5-10H2,1H3
InChIKey
KGHUULOEVIKOJK-UHFFFAOYSA-N
Compound name
3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

262.14297 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15025 160.4
[M+Na]+ 285.13219 169.8
[M-H]- 261.13569 163.3
[M+NH4]+ 280.17679 173.1
[M+K]+ 301.10613 166.5
[M+H-H2O]+ 245.14023 150.2
[M+HCOO]- 307.14117 176.9
[M+CH3COO]- 321.15682 171.5
[M+Na-2H]- 283.11764 164.8
[M]+ 262.14242 161.6
[M]- 262.14352 161.6
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