CID 11084233

121187-73-3

Structural Information

Molecular Formula

C₇H₁₁N₅

SMILES

C1CNCC2=C1N=C(N=C2N)N

InChI

InChI=1S/C7H11N5/c8-6-4-3-10-2-1-5(4)11-7(9)12-6/h10H,1-3H2,(H4,8,9,11,12)

InChIKey

IATHNVFSNNUOPD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 165.10144 Da
Monoisotopic Mass: -1.1
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]+	166.10872	133.2
[M+Na]+	188.09066	144.0
[M+NH4]+	183.13526	140.6
[M+K]+	204.06460	139.0
[M-H]-	164.09416	134.5
[M+Na-2H]-	186.07611	138.1
[M]+	165.10089	134.7
[M]-	165.10199	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe