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]+ 354.25398 192.1
[M+Na]+ 376.23592 196.5
[M-H]- 352.23942 197.3
[M+NH4]+ 371.28052 202.1
[M+K]+ 392.20986 192.8
[M+H-H2O]+ 336.24396 180.5
[M+HCOO]- 398.24490 208.5
[M+CH3COO]- 412.26055 223.2
[M+Na-2H]- 374.22137 194.8
[M]+ 353.24615 194.2
[M]- 353.24725 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.