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]+ 340.23833 187.5
[M+Na]+ 362.22027 192.5
[M-H]- 338.22377 193.0
[M+NH4]+ 357.26487 198.2
[M+K]+ 378.19421 188.9
[M+H-H2O]+ 322.22831 176.2
[M+HCOO]- 384.22925 204.3
[M+CH3COO]- 398.24490 220.2
[M+Na-2H]- 360.20572 190.8
[M]+ 339.23050 189.3
[M]- 339.23160 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.