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]+ 357.15575 183.8
[M+Na]+ 379.13769 192.9
[M-H]- 355.14119 188.0
[M+NH4]+ 374.18229 193.9
[M+K]+ 395.11163 188.0
[M+H-H2O]+ 339.14573 173.7
[M+HCOO]- 401.14667 204.5
[M+CH3COO]- 415.16232 219.7
[M+Na-2H]- 377.12314 188.4
[M]+ 356.14792 187.1
[M]- 356.14902 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.