CID 481005

2-tert-butyl-4-(3,5-dimethylphenyl)-5-ethyl-8-methoxy-6-methyl-4h-pyrido[3,4-d][1,3]oxazine

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCC1=C(N=C(C2=C1C(OC(=N2)C(C)(C)C)C3=CC(=CC(=C3)C)C)OC)C
InChI
InChI=1S/C23H30N2O2/c1-9-17-15(4)24-21(26-8)19-18(17)20(27-22(25-19)23(5,6)7)16-11-13(2)10-14(3)12-16/h10-12,20H,9H2,1-8H3
InChIKey
KTWSBNKAFORNHX-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-(3,5-dimethylphenyl)-5-ethyl-8-methoxy-6-methyl-4H-pyrido[3,4-d][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.23074 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 196.6
[M+Na]+ 389.21996 206.5
[M-H]- 365.22346 202.9
[M+NH4]+ 384.26456 207.4
[M+K]+ 405.19390 202.6
[M+H-H2O]+ 349.22800 187.0
[M+HCOO]- 411.22894 211.1
[M+CH3COO]- 425.24459 224.6
[M+Na-2H]- 387.20541 198.1
[M]+ 366.23019 202.6
[M]- 366.23129 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.