CID 848487

86672-58-4

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C)C(=O)O2
InChI
InChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)17-16-18-14-8-5-11(2)9-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18)
InChIKey
GFWNGVKCDGYFKG-UHFFFAOYSA-N
Compound name
6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

16
Patents

266.10553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 159.8
[M+Na]+ 289.09475 176.9
[M+NH4]+ 284.13935 168.6
[M+K]+ 305.06869 168.6
[M-H]- 265.09825 166.8
[M+Na-2H]- 287.08020 169.2
[M]+ 266.10498 164.4
[M]- 266.10608 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

patents stripe