CID 63575

4(3h)-quinazolinone, 3-(((2-methylphenyl)amino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H15N3O
SMILES
CC1=CC=CC=C1NCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H15N3O/c1-12-6-2-4-8-14(12)17-10-19-11-18-15-9-5-3-7-13(15)16(19)20/h2-9,11,17H,10H2,1H3
InChIKey
KFVXXGJXYRSBIU-UHFFFAOYSA-N
Compound name
3-[(2-methylanilino)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12152 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 160.4
[M+Na]+ 288.11074 169.7
[M-H]- 264.11424 165.6
[M+NH4]+ 283.15534 175.0
[M+K]+ 304.08468 163.9
[M+H-H2O]+ 248.11878 150.6
[M+HCOO]- 310.11972 182.5
[M+CH3COO]- 324.13537 172.2
[M+Na-2H]- 286.09619 168.9
[M]+ 265.12097 161.0
[M]- 265.12207 161.0
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.