CID 13203542

88809-77-2

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CCCC1C(=O)N(C2=C(O1)C=CC=N2)C(CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H29N3O2/c1-2-10-21-23(27)26(22-20(28-21)13-9-14-24-22)19(18-11-5-3-6-12-18)17-25-15-7-4-8-16-25/h3,5-6,9,11-14,19,21H,2,4,7-8,10,15-17H2,1H3
InChIKey
XGFLRDXPPGIFLB-UHFFFAOYSA-N
Compound name
4-(1-phenyl-2-piperidin-1-ylethyl)-2-propylpyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.22598 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.233256 196.3
[M+Na]+ 402.215198 199.0
[M-H]- 378.218704 200.9
[M+NH4]+ 397.259803 202.3
[M+K]+ 418.189138 193.9
[M+H-H2O]+ 362.223240 183.1
[M+HCOO]- 424.224181 205.6
[M+CH3COO]- 438.239831 202.5
[M+Na-2H]- 400.200646 196.8
[M]+ 379.22543142 191.6
[M]- 379.22652858 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.