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 187.9
[M+Na]+ 371.18422 194.9
[M-H]- 347.18772 193.4
[M+NH4]+ 366.22882 197.0
[M+K]+ 387.15816 187.3
[M+H-H2O]+ 331.19226 175.6
[M+HCOO]- 393.19320 203.0
[M+CH3COO]- 407.20885 196.2
[M+Na-2H]- 369.16967 190.4
[M]+ 348.19445 183.5
[M]- 348.19555 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.