CID 63717

4(3h)-quinazolinone, 3-(5-chloro-4-nitro-o-tolyl)-2-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H12ClN3O3
SMILES
CC1=CC(=C(C=C1N2C(=NC3=CC=CC=C3C2=O)C)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H12ClN3O3/c1-9-7-15(20(22)23)12(17)8-14(9)19-10(2)18-13-6-4-3-5-11(13)16(19)21/h3-8H,1-2H3
InChIKey
DTVPIGISJGNENX-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methyl-4-nitrophenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

329.05673 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.06401 171.0
[M+Na]+ 352.04595 190.0
[M+NH4]+ 347.09055 179.1
[M+K]+ 368.01989 183.9
[M-H]- 328.04945 176.7
[M+Na-2H]- 350.03140 179.5
[M]+ 329.05618 175.7
[M]- 329.05728 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.