CID 56843291

88810-21-3

Structural Information

Molecular Formula
C22H31N3O
SMILES
CCCC1C(N(C2=C(O1)C=CC=N2)CCN(CC)CC)C3=CC=CC=C3
InChI
InChI=1S/C22H31N3O/c1-4-11-19-21(18-12-8-7-9-13-18)25(17-16-24(5-2)6-3)22-20(26-19)14-10-15-23-22/h7-10,12-15,19,21H,4-6,11,16-17H2,1-3H3
InChIKey
NVFYDAHUKOCBIQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(3-phenyl-2-propyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.2467 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.253976 192.1
[M+Na]+ 376.235918 196.5
[M-H]- 352.239424 197.3
[M+NH4]+ 371.280523 202.1
[M+K]+ 392.209858 192.8
[M+H-H2O]+ 336.243960 180.5
[M+HCOO]- 398.244901 208.5
[M+CH3COO]- 412.260551 223.2
[M+Na-2H]- 374.221366 194.8
[M]+ 353.24615142 194.2
[M]- 353.24724858 194.2
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.