CID 13212013

88799-27-3

Structural Information

Molecular Formula
C26H29N3O
SMILES
C1CCN(CC1)CC(C2=CC=CC=C2)N3CC(OC4=C3N=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H29N3O/c1-4-11-21(12-5-1)23(19-28-17-8-3-9-18-28)29-20-25(22-13-6-2-7-14-22)30-24-15-10-16-27-26(24)29/h1-2,4-7,10-16,23,25H,3,8-9,17-20H2
InChIKey
XBQVMHPTGGGZQB-UHFFFAOYSA-N
Compound name
2-phenyl-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

399.23105 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.23833 199.7
[M+Na]+ 422.22027 201.0
[M-H]- 398.22377 206.5
[M+NH4]+ 417.26487 203.7
[M+K]+ 438.19421 194.6
[M+H-H2O]+ 382.22831 184.6
[M+HCOO]- 444.22925 208.5
[M+CH3COO]- 458.24490 204.9
[M+Na-2H]- 420.20572 201.3
[M]+ 399.23050 191.7
[M]- 399.23160 191.7
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.