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 182.2
[M+Na]+ 361.16352 191.0
[M-H]- 337.16702 188.1
[M+NH4]+ 356.20812 191.3
[M+K]+ 377.13746 185.5
[M+H-H2O]+ 321.17156 170.2
[M+HCOO]- 383.17250 197.7
[M+CH3COO]- 397.18815 191.8
[M+Na-2H]- 359.14897 184.7
[M]+ 338.17375 183.0
[M]- 338.17485 183.0
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