CID 382817

134337-04-5

Structural Information

Molecular Formula
C24H24N4O3
SMILES
C1CN(CCN1CCN2C3=C(C=CC=N3)OC2=O)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C24H24N4O3/c29-24-28(23-22(31-24)7-4-12-25-23)18-15-26-13-16-27(17-14-26)19-8-10-21(11-9-19)30-20-5-2-1-3-6-20/h1-12H,13-18H2
InChIKey
VCEPZHQCTXYJBF-UHFFFAOYSA-N
Compound name
3-[2-[4-(4-phenoxyphenyl)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

3
Patents

416.18484 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.192116 200.5
[M+Na]+ 439.174058 207.7
[M-H]- 415.177564 208.9
[M+NH4]+ 434.218663 205.3
[M+K]+ 455.147998 201.5
[M+H-H2O]+ 399.182100 186.5
[M+HCOO]- 461.183041 215.3
[M+CH3COO]- 475.198691 208.3
[M+Na-2H]- 437.159506 202.4
[M]+ 416.18429142 201.1
[M]- 416.18538858 201.1
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