CID 99079

33318-56-8

Structural Information

Molecular Formula
C40H55N3
SMILES
CCCCC(CCN(C)C)(CN=CC(CCCC)(CCN(C)C)C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C40H55N3/c1-7-9-25-39(27-29-42(3)4,37-23-15-19-33-17-11-13-21-35(33)37)31-41-32-40(26-10-8-2,28-30-43(5)6)38-24-16-20-34-18-12-14-22-36(34)38/h11-24,31H,7-10,25-30,32H2,1-6H3
InChIKey
LVYBZNYGQAFXRJ-UHFFFAOYSA-N
Compound name
3-[[[2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylhexylidene]amino]methyl]-N,N-dimethyl-3-naphthalen-1-ylheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.4396 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.44688 258.3
[M+Na]+ 600.42882 270.5
[M+NH4]+ 595.47342 265.4
[M+K]+ 616.40276 257.9
[M-H]- 576.43232 266.2
[M+Na-2H]- 598.41427 266.0
[M]+ 577.43905 262.7
[M]- 577.44015 262.7
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.