CID 36408

33318-62-6

Structural Information

Molecular Formula
C44H63N3
SMILES
CCC(C)C(CCN(CC)CC)(CN=CC(CCN(CC)CC)(C1=CC=CC2=CC=CC=C21)C(C)CC)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C44H63N3/c1-9-35(7)43(29-31-46(11-3)12-4,41-27-19-23-37-21-15-17-25-39(37)41)33-45-34-44(36(8)10-2,30-32-47(13-5)14-6)42-28-20-24-38-22-16-18-26-40(38)42/h15-28,33,35-36H,9-14,29-32,34H2,1-8H3
InChIKey
ODIJOGTVMRGYAO-UHFFFAOYSA-N
Compound name
3-[[[2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentylidene]amino]methyl]-N,N-diethyl-4-methyl-3-naphthalen-1-ylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

633.5022 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.50948 273.3
[M+Na]+ 656.49142 269.7
[M-H]- 632.49492 280.6
[M+NH4]+ 651.53602 276.3
[M+K]+ 672.46536 263.9
[M+H-H2O]+ 616.49946 259.4
[M+HCOO]- 678.50040 287.4
[M+CH3COO]- 692.51605 290.2
[M+Na-2H]- 654.47687 270.8
[M]+ 633.50165 280.1
[M]- 633.50275 280.1
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.