CID 198984

Ethanol, 2,2'-((2-(4-piperonyl-1-piperazinyl)-4-pyrimidinyl)imino)di-, dihydrochloride

Structural Information

Molecular Formula
C20H27N5O4
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC(=N4)N(CCO)CCO
InChI
InChI=1S/C20H27N5O4/c26-11-9-24(10-12-27)19-3-4-21-20(22-19)25-7-5-23(6-8-25)14-16-1-2-17-18(13-16)29-15-28-17/h1-4,13,26-27H,5-12,14-15H2
InChIKey
MPXAUOWSXOJZGT-UHFFFAOYSA-N
Compound name
2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.2063 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21358 197.5
[M+Na]+ 424.19552 208.2
[M+NH4]+ 419.24012 202.0
[M+K]+ 440.16946 205.4
[M-H]- 400.19902 202.7
[M+Na-2H]- 422.18097 200.8
[M]+ 401.20575 200.1
[M]- 401.20685 200.1
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.