CID 64109

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

Structural Information

Molecular Formula
C17H18N4O
SMILES
CC1=CC=C(C=C1)NCNCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H18N4O/c1-13-6-8-14(9-7-13)19-10-18-11-21-12-20-16-5-3-2-4-15(16)17(21)22/h2-9,12,18-19H,10-11H2,1H3
InChIKey
CTCYLIYKPIAQJM-UHFFFAOYSA-N
Compound name
3-[[(4-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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 167.7
[M+Na]+ 317.13729 175.6
[M-H]- 293.14079 172.6
[M+NH4]+ 312.18189 180.7
[M+K]+ 333.11123 169.6
[M+H-H2O]+ 277.14533 157.4
[M+HCOO]- 339.14627 190.5
[M+CH3COO]- 353.16192 178.5
[M+Na-2H]- 315.12274 176.4
[M]+ 294.14752 168.0
[M]- 294.14862 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.