CID 76962897

2724727-05-1

Structural Information

Molecular Formula
C39H41N
SMILES
CN(CCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24)CCCC56CCC(C7=CC=CC=C75)C8=CC=CC=C68
InChI
InChI=1S/C39H41N/c1-40(26-10-22-38-24-20-28(30-12-2-6-16-34(30)38)31-13-3-7-17-35(31)38)27-11-23-39-25-21-29(32-14-4-8-18-36(32)39)33-15-5-9-19-37(33)39/h2-9,12-19,28-29H,10-11,20-27H2,1H3
InChIKey
HVHYXMFNMPIBAS-UHFFFAOYSA-N
Compound name
N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)-N-[3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.3239 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.33118 231.5
[M+Na]+ 546.31312 246.9
[M+NH4]+ 541.35772 247.3
[M+K]+ 562.28706 228.4
[M-H]- 522.31662 238.2
[M+Na-2H]- 544.29857 233.0
[M]+ 523.32335 236.6
[M]- 523.32445 236.6
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.