PubChemLite - Dipyridamole (C24H40N8O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2

InChIKey

IZEKFCXSFNUWAM-UHFFFAOYSA-N

Compound name

2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

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]+	505.32454	221.2
[M+Na]+	527.30648	228.1
[M+NH4]+	522.35108	222.8
[M+K]+	543.28042	224.6
[M-H]-	503.30998	222.3
[M+Na-2H]-	525.29193	222.9
[M]+	504.31671	221.7
[M]-	504.31781	221.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.32454

221.2

[M+Na]+

527.30648

228.1

[M+NH4]+

522.35108

222.8

[M+K]+

543.28042

224.6

[M-H]-

503.30998

222.3

[M+Na-2H]-

525.29193

222.9

[M]+

504.31671

221.7

[M]-

504.31781

221.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dipyridamole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe