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

8
Patents

435.21497 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.22225 204.3
[M+Na]+ 458.20419 206.9
[M-H]- 434.20769 203.1
[M+NH4]+ 453.24879 205.2
[M+K]+ 474.17813 199.7
[M+H-H2O]+ 418.21223 189.9
[M+HCOO]- 480.21317 204.8
[M+CH3COO]- 494.22882 207.5
[M+Na-2H]- 456.18964 204.8
[M]+ 435.21442 199.2
[M]- 435.21552 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