CID 135461844

2-amino-6-(3,4,5-trimethoxybenzyl)amino-3h-quinolin-4-one

Structural Information

Molecular Formula
C18H20N4O4
SMILES
COC1=CC(=CC(=C1OC)OC)CNC2=CC3=C(C=C2)N=C(NC3=O)N
InChI
InChI=1S/C18H20N4O4/c1-24-14-6-10(7-15(25-2)16(14)26-3)9-20-11-4-5-13-12(8-11)17(23)22-18(19)21-13/h4-8,20H,9H2,1-3H3,(H3,19,21,22,23)
InChIKey
QPYFCWLODORDHH-UHFFFAOYSA-N
Compound name
2-amino-6-[(3,4,5-trimethoxyphenyl)methylamino]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14847 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.155746 183.8
[M+Na]+ 379.137688 192.9
[M-H]- 355.141194 188.0
[M+NH4]+ 374.182293 193.9
[M+K]+ 395.111628 188.0
[M+H-H2O]+ 339.145730 173.7
[M+HCOO]- 401.146671 204.5
[M+CH3COO]- 415.162321 219.7
[M+Na-2H]- 377.123136 188.4
[M]+ 356.14792142 187.1
[M]- 356.14901858 187.1
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.