CID 71356

Cipamfylline

Structural Information

Molecular Formula

C₁₃H₁₇N₅O₂

SMILES

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)NC(=N3)N

InChI

InChI=1S/C13H17N5O2/c14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h7-8H,1-6H2,(H3,14,15,16)

InChIKey

KSPYMJJKQMWWNB-UHFFFAOYSA-N

Compound name

8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 4008
Patents: 275.1382 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]+	276.14548	145.3
[M+Na]+	298.12742	159.1
[M+NH4]+	293.17202	151.9
[M+K]+	314.10136	159.2
[M-H]-	274.13092	159.1
[M+Na-2H]-	296.11287	155.5
[M]+	275.13765	153.0
[M]-	275.13875	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe