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]+ 352.20195 186.5
[M+Na]+ 374.18389 192.3
[M-H]- 350.18739 192.8
[M+NH4]+ 369.22849 198.0
[M+K]+ 390.15783 188.1
[M+H-H2O]+ 334.19193 175.2
[M+HCOO]- 396.19287 199.2
[M+CH3COO]- 410.20852 195.1
[M+Na-2H]- 372.16934 187.0
[M]+ 351.19412 184.1
[M]- 351.19522 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.