CID 12298684

6-des(diethanolamino)-6-chloro dipyridamole

Structural Information

Molecular Formula
C20H30ClN7O2
SMILES
C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)Cl
InChI
InChI=1S/C20H30ClN7O2/c21-19-22-15-16(17(24-19)26-7-3-1-4-8-26)23-20(28(11-13-29)12-14-30)25-18(15)27-9-5-2-6-10-27/h29-30H,1-14H2
InChIKey
CWZFYGCEBHRUNO-UHFFFAOYSA-N
Compound name
2-[[2-chloro-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

435.21497 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.222246 204.3
[M+Na]+ 458.204188 206.9
[M-H]- 434.207694 203.1
[M+NH4]+ 453.248793 205.2
[M+K]+ 474.178128 199.7
[M+H-H2O]+ 418.212230 189.9
[M+HCOO]- 480.213171 204.8
[M+CH3COO]- 494.228821 207.5
[M+Na-2H]- 456.189636 204.8
[M]+ 435.21442142 199.2
[M]- 435.21551858 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe