CID 370449

Nsc643545

Structural Information

Molecular Formula
C36H62N8
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCCNCCCCNCCCN)CNCCCNCCCCNCCCN
InChI
InChI=1S/C36H62N8/c37-17-9-23-39-19-5-7-21-41-25-11-27-43-29-35-31-13-1-2-14-32(31)36(34-16-4-3-15-33(34)35)30-44-28-12-26-42-22-8-6-20-40-24-10-18-38/h1-4,13-16,39-44H,5-12,17-30,37-38H2
InChIKey
SFHQSCRTAPYOPZ-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-N'-[3-[[10-[[3-[4-(3-aminopropylamino)butylamino]propylamino]methyl]anthracen-9-yl]methylamino]propyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.50977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.51705 230.8
[M+Na]+ 629.49899 226.1
[M-H]- 605.50249 231.2
[M+NH4]+ 624.54359 232.7
[M+K]+ 645.47293 219.2
[M+H-H2O]+ 589.50703 218.3
[M+HCOO]- 651.50797 253.8
[M+CH3COO]- 665.52362 288.2
[M+Na-2H]- 627.48444 235.2
[M]+ 606.50922 232.9
[M]- 606.51032 232.9
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.