CID 481006

Chembl128661

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CCC1=C(N=C(C2=C1C(OC(N2)(C(C)(C)C)O)C3=CC(=CC(=C3)C)C)OC)C
InChI
InChI=1S/C23H32N2O3/c1-9-17-15(4)24-21(27-8)19-18(17)20(16-11-13(2)10-14(3)12-16)28-23(26,25-19)22(5,6)7/h10-12,20,25-26H,9H2,1-8H3
InChIKey
QGDDQFVRRMNWMY-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-(3,5-dimethylphenyl)-5-ethyl-8-methoxy-6-methyl-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.2413 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 199.7
[M+Na]+ 407.23052 208.5
[M-H]- 383.23402 203.2
[M+NH4]+ 402.27512 210.3
[M+K]+ 423.20446 204.4
[M+H-H2O]+ 367.23856 191.2
[M+HCOO]- 429.23950 210.0
[M+CH3COO]- 443.25515 222.1
[M+Na-2H]- 405.21597 201.1
[M]+ 384.24075 202.6
[M]- 384.24185 202.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.