CID 56841481

88810-18-8

Structural Information

Molecular Formula
C21H29N3O
SMILES
CCC1C(N(C2=C(O1)C=CC=N2)CCN(CC)CC)C3=CC=CC=C3
InChI
InChI=1S/C21H29N3O/c1-4-18-20(17-11-8-7-9-12-17)24(16-15-23(5-2)6-3)21-19(25-18)13-10-14-22-21/h7-14,18,20H,4-6,15-16H2,1-3H3
InChIKey
CPCKOHBAANIYND-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-ethyl-3-phenyl-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

339.23105 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.238326 187.5
[M+Na]+ 362.220268 192.5
[M-H]- 338.223774 193.0
[M+NH4]+ 357.264873 198.2
[M+K]+ 378.194208 188.9
[M+H-H2O]+ 322.228310 176.2
[M+HCOO]- 384.229251 204.3
[M+CH3COO]- 398.244901 220.2
[M+Na-2H]- 360.205716 190.8
[M]+ 339.23050142 189.3
[M]- 339.23159858 189.3
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.