CID 63526

Brn 0839309

Structural Information

Molecular Formula
C20H24N4O
SMILES
CCN(CC)CC1=NC2=C(C=C(C=C2)N)C(=O)N1C3=CC=CC=C3C
InChI
InChI=1S/C20H24N4O/c1-4-23(5-2)13-19-22-17-11-10-15(21)12-16(17)20(25)24(19)18-9-7-6-8-14(18)3/h6-12H,4-5,13,21H2,1-3H3
InChIKey
NEYKKHVRIMBQAX-UHFFFAOYSA-N
Compound name
6-amino-2-(diethylaminomethyl)-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.195 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20228 184.1
[M+Na]+ 359.18422 192.7
[M-H]- 335.18772 190.3
[M+NH4]+ 354.22882 196.4
[M+K]+ 375.15816 187.2
[M+H-H2O]+ 319.19226 173.5
[M+HCOO]- 381.19320 205.6
[M+CH3COO]- 395.20885 222.8
[M+Na-2H]- 357.16967 187.7
[M]+ 336.19445 186.5
[M]- 336.19555 186.5
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.