CID 13203544

88809-79-4

Structural Information

Molecular Formula
C22H29N3O2
SMILES
CCCC1C(=O)N(C2=C(O1)C=CC=N2)C(CN(CC)CC)C3=CC=CC=C3
InChI
InChI=1S/C22H29N3O2/c1-4-11-20-22(26)25(21-19(27-20)14-10-15-23-21)18(16-24(5-2)6-3)17-12-8-7-9-13-17/h7-10,12-15,18,20H,4-6,11,16H2,1-3H3
InChIKey
WUFXRRGNQMXXKQ-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)-1-phenylethyl]-2-propylpyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.22598 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.23326 193.9
[M+Na]+ 390.21520 198.2
[M-H]- 366.21870 199.3
[M+NH4]+ 385.25980 203.1
[M+K]+ 406.18914 195.1
[M+H-H2O]+ 350.22324 182.5
[M+HCOO]- 412.22418 209.7
[M+CH3COO]- 426.23983 225.5
[M+Na-2H]- 388.20065 195.7
[M]+ 367.22543 196.2
[M]- 367.22653 196.2
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.