CID 63166

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

Structural Information

Molecular Formula
C17H18N4O
SMILES
CC1=CC=CC=C1NCNCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H18N4O/c1-13-6-2-4-8-15(13)19-10-18-11-21-12-20-16-9-5-3-7-14(16)17(21)22/h2-9,12,18-19H,10-11H2,1H3
InChIKey
FRYCZSJYHYFAIH-UHFFFAOYSA-N
Compound name
3-[[(2-methylanilino)methylamino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.155346 167.7
[M+Na]+ 317.137288 175.6
[M-H]- 293.140794 172.6
[M+NH4]+ 312.181893 180.7
[M+K]+ 333.111228 169.6
[M+H-H2O]+ 277.145330 157.4
[M+HCOO]- 339.146271 190.5
[M+CH3COO]- 353.161921 178.5
[M+Na-2H]- 315.122736 176.4
[M]+ 294.14752142 168.0
[M]- 294.14861858 168.0
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.