CID 5743421

6,7,8-trimethoxyquinazoline-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C11H12N2O5
SMILES
COC1=C(C(=C2C(=C1)C(=O)NC(=O)N2)OC)OC
InChI
InChI=1S/C11H12N2O5/c1-16-6-4-5-7(9(18-3)8(6)17-2)12-11(15)13-10(5)14/h4H,1-3H3,(H2,12,13,14,15)
InChIKey
QNACMQOICPJEOM-UHFFFAOYSA-N
Compound name
6,7,8-trimethoxy-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

252.07462 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08190 151.1
[M+Na]+ 275.06384 162.8
[M-H]- 251.06734 151.7
[M+NH4]+ 270.10844 166.0
[M+K]+ 291.03778 159.3
[M+H-H2O]+ 235.07188 144.0
[M+HCOO]- 297.07282 170.4
[M+CH3COO]- 311.08847 190.5
[M+Na-2H]- 273.04929 157.1
[M]+ 252.07407 155.6
[M]- 252.07517 155.6
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

patents stripe