CID 13203535

88809-71-6

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CC1(C(=O)N(C2=C(O1)C=CC=N2)C(CN3CCCC3)C4=CC=CC=C4)C
InChI
InChI=1S/C21H25N3O2/c1-21(2)20(25)24(19-18(26-21)11-8-12-22-19)17(15-23-13-6-7-14-23)16-9-4-3-5-10-16/h3-5,8-12,17H,6-7,13-15H2,1-2H3
InChIKey
LRXXTSYAROSKNY-UHFFFAOYSA-N
Compound name
2,2-dimethyl-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

351.19467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.201946 186.5
[M+Na]+ 374.183888 192.3
[M-H]- 350.187394 192.8
[M+NH4]+ 369.228493 198.0
[M+K]+ 390.157828 188.1
[M+H-H2O]+ 334.191930 175.2
[M+HCOO]- 396.192871 199.2
[M+CH3COO]- 410.208521 195.1
[M+Na-2H]- 372.169336 187.0
[M]+ 351.19412142 184.1
[M]- 351.19521858 184.1
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.