CID 63532

4(3h)-quinazolinone, 6-amino-2-(hydroxymethyl)-3-(2-methylphenyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CO
InChI
InChI=1S/C16H15N3O2/c1-10-4-2-3-5-14(10)19-15(9-20)18-13-7-6-11(17)8-12(13)16(19)21/h2-8,20H,9,17H2,1H3
InChIKey
NNPNNXMCMQYBAN-UHFFFAOYSA-N
Compound name
6-amino-2-(hydroxymethyl)-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 165.7
[M+Na]+ 304.10564 176.3
[M-H]- 280.10914 170.0
[M+NH4]+ 299.15024 179.3
[M+K]+ 320.07958 170.2
[M+H-H2O]+ 264.11368 156.7
[M+HCOO]- 326.11462 185.8
[M+CH3COO]- 340.13027 177.1
[M+Na-2H]- 302.09109 171.2
[M]+ 281.11587 165.9
[M]- 281.11697 165.9
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.