CID 474146

N,n'-bis[3-[[4-(2-diethylaminoethylamino)pyrimidin-2-yl]amino]propyl]butanediamide

Structural Information

Molecular Formula
C30H54N12O2
SMILES
CCN(CC)CCNC1=NC(=NC=C1)NCCCNC(=O)CCC(=O)NCCCNC2=NC=CC(=N2)NCCN(CC)CC
InChI
InChI=1S/C30H54N12O2/c1-5-41(6-2)23-21-31-25-13-19-37-29(39-25)35-17-9-15-33-27(43)11-12-28(44)34-16-10-18-36-30-38-20-14-26(40-30)32-22-24-42(7-3)8-4/h13-14,19-20H,5-12,15-18,21-24H2,1-4H3,(H,33,43)(H,34,44)(H2,31,35,37,39)(H2,32,36,38,40)
InChIKey
WWEIPDSEFVUSEX-UHFFFAOYSA-N
Compound name
N,N'-bis[3-[[4-[2-(diethylamino)ethylamino]pyrimidin-2-yl]amino]propyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.4493 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.45658 242.1
[M+Na]+ 637.43852 236.8
[M-H]- 613.44202 244.6
[M+NH4]+ 632.48312 237.7
[M+K]+ 653.41246 234.9
[M+H-H2O]+ 597.44656 226.8
[M+HCOO]- 659.44750 264.0
[M+CH3COO]- 673.46315 290.8
[M+Na-2H]- 635.42397 245.4
[M]+ 614.44875 246.4
[M]- 614.44985 246.4
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.