CID 6447858

N-solanesyl-n,n'-bis(3,4-dimethoxybenzyl)ethylenediamine

Structural Information

Molecular Formula
C65H100N2O4
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CN(CCNCC1=CC(=C(C=C1)OC)OC)CC2=CC(=C(C=C2)OC)OC)/C)/C)/C)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C65H100N2O4/c1-51(2)23-15-24-52(3)25-16-26-53(4)27-17-28-54(5)29-18-30-55(6)31-19-32-56(7)33-20-34-57(8)35-21-36-58(9)37-22-38-59(10)43-45-67(50-61-40-42-63(69-12)65(48-61)71-14)46-44-66-49-60-39-41-62(68-11)64(47-60)70-13/h23,25,27,29,31,33,35,37,39-43,47-48,66H,15-22,24,26,28,30,32,34,36,38,44-46,49-50H2,1-14H3/b52-25+,53-27+,54-29+,55-31+,56-33+,57-35+,58-37+,59-43+
InChIKey
RFCLMDXUHUITAX-KBKIXUIHSA-N
Compound name
N,N'-bis[(3,4-dimethoxyphenyl)methyl]-N'-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

972.7683 Da
Monoisotopic Mass

19.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 973.77558 342.4
[M+Na]+ 995.75752 347.2
[M+NH4]+ 990.80212 346.8
[M+K]+ 1011.7315 348.5
[M-H]- 971.76102 337.6
[M+Na-2H]- 993.74297 338.9
[M]+ 972.76775 343.1
[M]- 972.76885 343.1
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

No patent data available for this compound.