CID 135890465

Methyl 2-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1

InChI

InChI=1S/C11H10N2O3/c1-6-12-9-5-7(11(15)16-2)3-4-8(9)10(14)13-6/h3-5H,1-2H3,(H,12,13,14)

InChIKey

XZFQNRLWZDAFIR-UHFFFAOYSA-N

Compound name

methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 218.06914 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.076416	144.7
[M+Na]+	241.058358	155.2
[M-H]-	217.061864	146.0
[M+NH4]+	236.102963	161.3
[M+K]+	257.032298	151.8
[M+H-H2O]+	201.066400	137.5
[M+HCOO]-	263.067341	164.3
[M+CH3COO]-	277.082991	185.9
[M+Na-2H]-	239.043806	151.4
[M]+	218.06859142	146.6
[M]-	218.06968858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe