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 160.6
[M+Na]+ 288.11074 177.2
[M+NH4]+ 283.15534 169.2
[M+K]+ 304.08468 168.2
[M-H]- 264.11424 165.9
[M+Na-2H]- 286.09619 170.8
[M]+ 265.12097 164.6
[M]- 265.12207 164.6
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.