CID 13203547

88809-82-9

Structural Information

Molecular Formula
C25H25N3O2
SMILES
C1CCN(C1)CC(C2=CC=CC=C2)N3C(=O)C(OC4=C3N=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H25N3O2/c29-25-23(20-12-5-2-6-13-20)30-22-14-9-15-26-24(22)28(25)21(18-27-16-7-8-17-27)19-10-3-1-4-11-19/h1-6,9-15,21,23H,7-8,16-18H2
InChIKey
NCBBBOYVFSACJI-UHFFFAOYSA-N
Compound name
2-phenyl-4-(1-phenyl-2-pyrrolidin-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

399.19467 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20195 197.6
[M+Na]+ 422.18389 201.4
[M-H]- 398.18739 206.1
[M+NH4]+ 417.22849 204.0
[M+K]+ 438.15783 195.5
[M+H-H2O]+ 382.19193 184.4
[M+HCOO]- 444.19287 209.7
[M+CH3COO]- 458.20852 204.6
[M+Na-2H]- 420.16934 196.9
[M]+ 399.19412 193.1
[M]- 399.19522 193.1
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.