CID 63525

Brn 0846029

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]+ 349.20228 186.7
[M+Na]+ 371.18422 202.5
[M+NH4]+ 366.22882 194.4
[M+K]+ 387.15816 193.4
[M-H]- 347.18772 193.1
[M+Na-2H]- 369.16967 195.4
[M]+ 348.19445 190.8
[M]- 348.19555 190.8
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.