CID 81556

7139-02-8

Structural Information

Molecular Formula

C₁₆H₂₀Cl₂N₆

SMILES

C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)Cl)Cl

InChI

InChI=1S/C16H20Cl2N6/c17-15-20-12-11(13(21-15)23-7-3-1-4-8-23)19-16(18)22-14(12)24-9-5-2-6-10-24/h1-10H2

InChIKey

PCVJQTVUJJJSRQ-UHFFFAOYSA-N

Compound name

2,6-dichloro-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 366.11264 Da
Monoisotopic Mass: 4.4
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]+	367.11992	186.9
[M+Na]+	389.10186	193.3
[M-H]-	365.10536	186.2
[M+NH4]+	384.14646	192.2
[M+K]+	405.07580	185.2
[M+H-H2O]+	349.10990	172.1
[M+HCOO]-	411.11084	184.4
[M+CH3COO]-	425.12649	192.2
[M+Na-2H]-	387.08731	188.1
[M]+	366.11209	181.3
[M]-	366.11319	181.3

Literature stripe

literature stripe

Patent stripe

patents stripe