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 257.4
[M+Na]+ 600.42882 256.3
[M-H]- 576.43232 265.6
[M+NH4]+ 595.47342 263.0
[M+K]+ 616.40276 249.9
[M+H-H2O]+ 560.43686 243.7
[M+HCOO]- 622.43780 275.0
[M+CH3COO]- 636.45345 277.9
[M+Na-2H]- 598.41427 258.9
[M]+ 577.43905 264.1
[M]- 577.44015 264.1
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.