CID 13203540

88809-52-3

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CCC1C(=O)N(C2=C(O1)C=CC=N2)C(CN(CC)CC)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O2/c1-4-18-21(25)24(20-19(26-18)13-10-14-22-20)17(15-23(5-2)6-3)16-11-8-7-9-12-16/h7-14,17-18H,4-6,15H2,1-3H3
InChIKey
BPQOCCRIRDCYLZ-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.217606 189.4
[M+Na]+ 376.199548 194.1
[M-H]- 352.203054 195.0
[M+NH4]+ 371.244153 199.2
[M+K]+ 392.173488 191.2
[M+H-H2O]+ 336.207590 178.2
[M+HCOO]- 398.208531 205.5
[M+CH3COO]- 412.224181 222.5
[M+Na-2H]- 374.184996 191.7
[M]+ 353.20978142 191.3
[M]- 353.21087858 191.3
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.