CID 26172

Mopidamol

Structural Information

Molecular Formula
C19H31N7O4
SMILES
C1CCN(CC1)C2=NC(=NC3=CN=C(N=C32)N(CCO)CCO)N(CCO)CCO
InChI
InChI=1S/C19H31N7O4/c27-10-6-25(7-11-28)18-20-14-15-16(22-18)17(24-4-2-1-3-5-24)23-19(21-15)26(8-12-29)9-13-30/h14,27-30H,1-13H2
InChIKey
FOYWNSCCNCUEPU-UHFFFAOYSA-N
Compound name
2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

77
References

27349
Patents

421.24374 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.25102 198.2
[M+Na]+ 444.23296 199.6
[M-H]- 420.23646 195.2
[M+NH4]+ 439.27756 199.7
[M+K]+ 460.20690 195.6
[M+H-H2O]+ 404.24100 186.0
[M+HCOO]- 466.24194 207.4
[M+CH3COO]- 480.25759 228.9
[M+Na-2H]- 442.21841 201.2
[M]+ 421.24319 196.6
[M]- 421.24429 196.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe