CID 13212005

88810-20-2

Structural Information

Molecular Formula
C22H29N3O
SMILES
CCC1CN(C2=C(O1)C=CC=N2)C(CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H29N3O/c1-2-19-16-25(22-21(26-19)12-9-13-23-22)20(18-10-5-3-6-11-18)17-24-14-7-4-8-15-24/h3,5-6,9-13,19-20H,2,4,7-8,14-17H2,1H3
InChIKey
OMOGTPUDYSLECP-UHFFFAOYSA-N
Compound name
2-ethyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 189.0
[M+Na]+ 374.22027 191.1
[M-H]- 350.22377 193.4
[M+NH4]+ 369.26487 196.0
[M+K]+ 390.19421 186.1
[M+H-H2O]+ 334.22831 175.8
[M+HCOO]- 396.22925 198.3
[M+CH3COO]- 410.24490 195.4
[M+Na-2H]- 372.20572 190.6
[M]+ 351.23050 182.8
[M]- 351.23160 182.8
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.