CID 46781407

Dipyridamole mono-o-beta-d-glucuronide

Structural Information

Molecular Formula
C30H48N8O10
SMILES
C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO[C@@H]5[C@@H]([C@@H]([C@H](C(O5)C(=O)O)O)O)O
InChI
InChI=1S/C30H48N8O10/c39-15-11-37(12-16-40)29-31-19-20(25(33-29)35-7-3-1-4-8-35)32-30(34-26(19)36-9-5-2-6-10-36)38(13-17-41)14-18-47-28-23(44)21(42)22(43)24(48-28)27(45)46/h21-24,28,39-44H,1-18H2,(H,45,46)/t21-,22-,23-,24?,28+/m1/s1
InChIKey
UINLJWRYFLLHGA-LGVHZZHMSA-N
Compound name
(3R,4R,5R,6S)-6-[2-[[6-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

680.34937 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.35665 257.1
[M+Na]+ 703.33859 260.7
[M+NH4]+ 698.38319 259.1
[M+K]+ 719.31253 260.4
[M-H]- 679.34209 253.1
[M+Na-2H]- 701.32404 270.9
[M]+ 680.34882 257.5
[M]- 680.34992 257.5
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

No patent data available for this compound.