CID 13212014

88799-28-4

Structural Information

Molecular Formula
C25H27N3O
SMILES
C1CCN(C1)CC(C2=CC=CC=C2)N3CC(OC4=C3N=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H27N3O/c1-3-10-20(11-4-1)22(18-27-16-7-8-17-27)28-19-24(21-12-5-2-6-13-21)29-23-14-9-15-26-25(23)28/h1-6,9-15,22,24H,7-8,16-19H2
InChIKey
SLNISOHPNRUTSM-UHFFFAOYSA-N
Compound name
2-phenyl-4-(1-phenyl-2-pyrrolidin-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

385.21542 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.22270 196.4
[M+Na]+ 408.20464 211.9
[M+NH4]+ 403.24924 204.9
[M+K]+ 424.17858 204.2
[M-H]- 384.20814 205.4
[M+Na-2H]- 406.19009 205.9
[M]+ 385.21487 201.3
[M]- 385.21597 201.3
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.