CID 13203530

88809-66-9

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CC1C(=O)N(C2=C(O1)C=CC=N2)C(CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H25N3O2/c1-16-21(25)24(20-19(26-16)11-8-12-22-20)18(17-9-4-2-5-10-17)15-23-13-6-3-7-14-23/h2,4-5,8-12,16,18H,3,6-7,13-15H2,1H3
InChIKey
SDONVPFQOFPBDK-UHFFFAOYSA-N
Compound name
2-methyl-4-(1-phenyl-2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.201946 187.6
[M+Na]+ 374.183888 191.2
[M-H]- 350.187394 192.7
[M+NH4]+ 369.228493 194.8
[M+K]+ 390.157828 186.6
[M+H-H2O]+ 334.191930 174.8
[M+HCOO]- 396.192871 197.6
[M+CH3COO]- 410.208521 194.7
[M+Na-2H]- 372.169336 189.1
[M]+ 351.19412142 182.3
[M]- 351.19521858 182.3
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.