CID 474147

N'-[2-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]ethyl]-n-[3-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]propyl]propanediamide

Structural Information

Molecular Formula
C28H50N12O2
SMILES
CCN(CC)CCNC1=NC(=NC=C1)NCCCNC(=O)CC(=O)NCCNC2=NC=CC(=N2)NCCN(CC)CC
InChI
InChI=1S/C28H50N12O2/c1-5-39(6-2)20-18-29-23-10-14-34-27(37-23)33-13-9-12-31-25(41)22-26(42)32-16-17-36-28-35-15-11-24(38-28)30-19-21-40(7-3)8-4/h10-11,14-15H,5-9,12-13,16-22H2,1-4H3,(H,31,41)(H,32,42)(H2,29,33,34,37)(H2,30,35,36,38)
InChIKey
LROOERAHTPURJF-UHFFFAOYSA-N
Compound name
N'-[2-[[4-[2-(diethylamino)ethylamino]pyrimidin-2-yl]amino]ethyl]-N-[3-[[4-[2-(diethylamino)ethylamino]pyrimidin-2-yl]amino]propyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.41797 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.42525 235.0
[M+Na]+ 609.40719 230.7
[M-H]- 585.41069 237.9
[M+NH4]+ 604.45179 231.8
[M+K]+ 625.38113 229.1
[M+H-H2O]+ 569.41523 220.1
[M+HCOO]- 631.41617 257.6
[M+CH3COO]- 645.43182 285.5
[M+Na-2H]- 607.39264 239.1
[M]+ 586.41742 238.7
[M]- 586.41852 238.7
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.