CID 13203527

88809-63-6

Structural Information

Molecular Formula
C19H21N3O2
SMILES
C1CCN(C1)CC(C2=CC=CC=C2)N3C(=O)COC4=C3N=CC=C4
InChI
InChI=1S/C19H21N3O2/c23-18-14-24-17-9-6-10-20-19(17)22(18)16(13-21-11-4-5-12-21)15-7-2-1-3-8-15/h1-3,6-10,16H,4-5,11-14H2
InChIKey
PEMQRXPPVJNFNJ-UHFFFAOYSA-N
Compound name
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

323.1634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 176.9
[M+Na]+ 346.15262 181.5
[M-H]- 322.15612 182.7
[M+NH4]+ 341.19722 187.1
[M+K]+ 362.12656 177.4
[M+H-H2O]+ 306.16066 165.5
[M+HCOO]- 368.16160 190.1
[M+CH3COO]- 382.17725 185.6
[M+Na-2H]- 344.13807 178.2
[M]+ 323.16285 173.0
[M]- 323.16395 173.0
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.