CID 22308430

954230-61-6

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

CC(C)C1=NC=C2CNCCC2=N1

InChI

InChI=1S/C10H15N3/c1-7(2)10-12-6-8-5-11-4-3-9(8)13-10/h6-7,11H,3-5H2,1-2H3

InChIKey

CJKMUTXSZGDRJB-UHFFFAOYSA-N

Compound name

2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 177.1266 Da
Monoisotopic Mass: 0.8
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]+	178.13388	141.2
[M+Na]+	200.11582	147.9
[M-H]-	176.11932	139.5
[M+NH4]+	195.16042	157.5
[M+K]+	216.08976	144.4
[M+H-H2O]+	160.12386	133.0
[M+HCOO]-	222.12480	155.9
[M+CH3COO]-	236.14045	152.0
[M+Na-2H]-	198.10127	147.7
[M]+	177.12605	136.7
[M]-	177.12715	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe