CID 63525

4(3h)-quinazolinone, 6-amino-3-(2-methylphenyl)-2-(1-piperidinylmethyl)-

Structural Information

Molecular Formula
C21H24N4O
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CN4CCCCC4
InChI
InChI=1S/C21H24N4O/c1-15-7-3-4-8-19(15)25-20(14-24-11-5-2-6-12-24)23-18-10-9-16(22)13-17(18)21(25)26/h3-4,7-10,13H,2,5-6,11-12,14,22H2,1H3
InChIKey
LYIWTNLUKLLMQQ-UHFFFAOYSA-N
Compound name
6-amino-3-(2-methylphenyl)-2-(piperidin-1-ylmethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.195 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.202276 187.9
[M+Na]+ 371.184218 194.9
[M-H]- 347.187724 193.4
[M+NH4]+ 366.228823 197.0
[M+K]+ 387.158158 187.3
[M+H-H2O]+ 331.192260 175.6
[M+HCOO]- 393.193201 203.0
[M+CH3COO]- 407.208851 196.2
[M+Na-2H]- 369.169666 190.4
[M]+ 348.19445142 183.5
[M]- 348.19554858 183.5
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.