CID 135403632

1618-45-7

Structural Information

Molecular Formula

C₉H₁₂N₄O

SMILES

CN(C)CC1=CNC2=C1C(=O)NC=N2

InChI

InChI=1S/C9H12N4O/c1-13(2)4-6-3-10-8-7(6)9(14)12-5-11-8/h3,5H,4H2,1-2H3,(H2,10,11,12,14)

InChIKey

FSNZECMQDRKXMJ-UHFFFAOYSA-N

Compound name

5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 192.1011 Da
Monoisotopic Mass: -0.3
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]+	193.10838	139.7
[M+Na]+	215.09032	150.1
[M-H]-	191.09382	140.0
[M+NH4]+	210.13492	157.6
[M+K]+	231.06426	146.4
[M+H-H2O]+	175.09836	132.1
[M+HCOO]-	237.09930	161.4
[M+CH3COO]-	251.11495	183.4
[M+Na-2H]-	213.07577	146.9
[M]+	192.10055	140.6
[M]-	192.10165	140.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.