CID 385598

Nsc676895

Structural Information

Molecular Formula
C19H19NO2
SMILES
CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C19H19NO2/c1-12-5-10-16-15(11-12)18(21)22-17(20-16)13-6-8-14(9-7-13)19(2,3)4/h5-11H,1-4H3
InChIKey
ABZNXVRZPNSZMJ-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-6-methyl-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.14157 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 169.9
[M+Na]+ 316.13079 180.3
[M-H]- 292.13429 177.7
[M+NH4]+ 311.17539 184.4
[M+K]+ 332.10473 176.6
[M+H-H2O]+ 276.13883 161.5
[M+HCOO]- 338.13977 189.0
[M+CH3COO]- 352.15542 205.2
[M+Na-2H]- 314.11624 176.9
[M]+ 293.14102 173.6
[M]- 293.14212 173.6
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.