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]+ 297.12338 167.1
[M+Na]+ 319.10532 178.1
[M-H]- 295.10882 176.7
[M+NH4]+ 314.14992 181.6
[M+K]+ 335.07926 175.7
[M+H-H2O]+ 279.11336 157.9
[M+HCOO]- 341.11430 190.3
[M+CH3COO]- 355.12995 210.6
[M+Na-2H]- 317.09077 173.4
[M]+ 296.11555 172.4
[M]- 296.11665 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.