CID 481578

2-(1-adamantyl)-6-methyl-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C19H21NO2
SMILES
CC1=CC2=C(C=C1)N=C(OC2=O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C19H21NO2/c1-11-2-3-16-15(4-11)17(21)22-18(20-16)19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-10H2,1H3
InChIKey
JTGVLPYMCGYWOA-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-6-methyl-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.15723 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 163.0
[M+Na]+ 318.14645 167.0
[M-H]- 294.14995 162.0
[M+NH4]+ 313.19105 183.1
[M+K]+ 334.12039 163.0
[M+H-H2O]+ 278.15449 151.7
[M+HCOO]- 340.15543 167.1
[M+CH3COO]- 354.17108 170.9
[M+Na-2H]- 316.13190 173.7
[M]+ 295.15668 164.4
[M]- 295.15778 164.4
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.