CID 24812717

3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1h)-one

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)N(C=C1)C2=CC3=C(C=C2)C(CN3)(C)C)C4=CC5=CN=C(N=C5C=C4)N

InChI

InChI=1S/C24H23N5O/c1-14-8-9-29(17-5-6-18-20(11-17)27-13-24(18,2)3)22(30)21(14)15-4-7-19-16(10-15)12-26-23(25)28-19/h4-12,27H,13H2,1-3H3,(H2,25,26,28)

InChIKey

LHLGUOHREUTYTO-UHFFFAOYSA-N

Compound name

3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-methylpyridin-2-one

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 11
Patents: 397.19025 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	398.19753	201.5
[M+Na]+	420.17947	212.8
[M-H]-	396.18297	207.5
[M+NH4]+	415.22407	212.0
[M+K]+	436.15341	203.3
[M+H-H2O]+	380.18751	189.5
[M+HCOO]-	442.18845	216.1
[M+CH3COO]-	456.20410	210.1
[M+Na-2H]-	418.16492	203.3
[M]+	397.18970	200.7
[M]-	397.19080	200.7

Literature stripe

Patent stripe