CID 13211998

88810-14-4

Structural Information

Molecular Formula
C20H25N3O
SMILES
CC1CN(C2=C(O1)C=CC=N2)C(CN3CCCC3)C4=CC=CC=C4
InChI
InChI=1S/C20H25N3O/c1-16-14-23(20-19(24-16)10-7-11-21-20)18(15-22-12-5-6-13-22)17-8-3-2-4-9-17/h2-4,7-11,16,18H,5-6,12-15H2,1H3
InChIKey
KRKTVOBWDJVWRE-UHFFFAOYSA-N
Compound name
2-methyl-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

323.19977 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 179.4
[M+Na]+ 346.18899 183.4
[M-H]- 322.19249 185.0
[M+NH4]+ 341.23359 189.8
[M+K]+ 362.16293 179.0
[M+H-H2O]+ 306.19703 167.8
[M+HCOO]- 368.19797 191.9
[M+CH3COO]- 382.21362 187.7
[M+Na-2H]- 344.17444 180.0
[M]+ 323.19922 175.1
[M]- 323.20032 175.1
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.