CID 11833359

3-(4-dimethylaminophenyl)-7-methyl-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CC1=CC2=C(C=C1)C(=O)N(C(=O)O2)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C17H16N2O3/c1-11-4-9-14-15(10-11)22-17(21)19(16(14)20)13-7-5-12(6-8-13)18(2)3/h4-10H,1-3H3
InChIKey
YRCCAOLBYLYBIP-UHFFFAOYSA-N
Compound name
3-[4-(dimethylamino)phenyl]-7-methyl-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.1161 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.123376 167.1
[M+Na]+ 319.105318 178.1
[M-H]- 295.108824 176.7
[M+NH4]+ 314.149923 181.6
[M+K]+ 335.079258 175.7
[M+H-H2O]+ 279.113360 157.9
[M+HCOO]- 341.114301 190.3
[M+CH3COO]- 355.129951 210.6
[M+Na-2H]- 317.090766 173.4
[M]+ 296.11555142 172.4
[M]- 296.11664858 172.4
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.