CID 135511119

Schembl15486371

Structural Information

Molecular Formula

C₁₂H₁₂N₄O

SMILES

CN(C)C1=NC2=C(C(=O)N1)NC3=CC=CC=C32

InChI

InChI=1S/C12H12N4O/c1-16(2)12-14-9-7-5-3-4-6-8(7)13-10(9)11(17)15-12/h3-6,13H,1-2H3,(H,14,15,17)

InChIKey

FVUOLFVHQBEYMA-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 228.1011 Da
Monoisotopic Mass: 1.2
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]+	229.10838	148.7
[M+Na]+	251.09032	160.1
[M-H]-	227.09382	150.2
[M+NH4]+	246.13492	166.2
[M+K]+	267.06426	154.8
[M+H-H2O]+	211.09836	140.9
[M+HCOO]-	273.09930	169.1
[M+CH3COO]-	287.11495	161.3
[M+Na-2H]-	249.07577	156.5
[M]+	228.10055	149.9
[M]-	228.10165	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe