CID 385602

Nsc676899

Structural Information

Molecular Formula
C19H19NO3
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3OC)C(=O)O2
InChI
InChI=1S/C19H19NO3/c1-19(2,3)13-10-8-12(9-11-13)17-20-16-14(18(21)23-17)6-5-7-15(16)22-4/h5-11H,1-4H3
InChIKey
BHKIGUCSAYVZDR-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-8-methoxy-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1365 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 173.4
[M+Na]+ 332.12572 183.6
[M-H]- 308.12922 181.2
[M+NH4]+ 327.17032 187.0
[M+K]+ 348.09966 180.6
[M+H-H2O]+ 292.13376 164.7
[M+HCOO]- 354.13470 192.7
[M+CH3COO]- 368.15035 207.3
[M+Na-2H]- 330.11117 180.5
[M]+ 309.13595 178.5
[M]- 309.13705 178.5
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.