CID 63577

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

Structural Information

Molecular Formula
C16H15N3O2
SMILES
COC1=CC=CC=C1NCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H15N3O2/c1-21-15-9-5-4-8-14(15)18-11-19-10-17-13-7-3-2-6-12(13)16(19)20/h2-10,18H,11H2,1H3
InChIKey
BTVWINCGKIFYIM-UHFFFAOYSA-N
Compound name
3-[(2-methoxyanilino)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.0
[M+Na]+ 304.10564 180.0
[M+NH4]+ 299.15024 171.9
[M+K]+ 320.07958 171.6
[M-H]- 280.10914 168.7
[M+Na-2H]- 302.09109 173.6
[M]+ 281.11587 167.6
[M]- 281.11697 167.6
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.