CID 4097414

4,8,12,17,21,25-hexaazaoctacosane-1,28-diamine, 4,25-bis(3-aminopropyl)-12,17-(3-(bis(3-(bis(3-aminopropyl)amino)propyl)amino)propyl)-8,21-bis(3-(bis(3-aminopropyl)amino)propyl)-

Structural Information

Molecular Formula
C88H208N30
SMILES
C(CCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
InChI
InChI=1S/C88H208N30/c89-31-3-49-107(50-4-32-90)69-23-81-115(82-24-70-108(51-5-33-91)52-6-34-92)77-19-65-105(66-20-78-116(83-25-71-109(53-7-35-93)54-8-36-94)84-26-72-110(55-9-37-95)56-10-38-96)47-1-2-48-106(67-21-79-117(85-27-73-111(57-11-39-97)58-12-40-98)86-28-74-112(59-13-41-99)60-14-42-100)68-22-80-118(87-29-75-113(61-15-43-101)62-16-44-102)88-30-76-114(63-17-45-103)64-18-46-104/h1-104H2
InChIKey
MVMZFIQOIDKSFP-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

1685.7198 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1686.7271 303.2
[M+Na]+ 1708.7090 294.5
[M-H]- 1684.7125 301.4
[M+NH4]+ 1703.7536 300.6
[M+K]+ 1724.6830 302.1
[M+H-H2O]+ 1668.7171 286.9
[M+HCOO]- 1730.7180 299.0
[M+CH3COO]- 1744.7337 299.3
[M+Na-2H]- 1706.6945 353.6
[M]+ 1685.7193 311.8
[M]- 1685.7203 311.8
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