CID 99123

33310-48-4

Structural Information

Molecular Formula
C48H73N5
SMILES
CCN(CC)CCC(CCN(CC)CC)(CN=CC(CCN(CC)CC)(CCN(CC)CC)C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C48H73N5/c1-9-50(10-2)35-31-47(32-36-51(11-3)12-4,45-29-21-25-41-23-17-19-27-43(41)45)39-49-40-48(33-37-52(13-5)14-6,34-38-53(15-7)16-8)46-30-22-26-42-24-18-20-28-44(42)46/h17-30,39H,9-16,31-38,40H2,1-8H3
InChIKey
UEBQFFBEHTYXGM-UHFFFAOYSA-N
Compound name
3-[[[4-(diethylamino)-2-[2-(diethylamino)ethyl]-2-naphthalen-1-ylbutylidene]amino]methyl]-N,N,N',N'-tetraethyl-3-naphthalen-1-ylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

719.5866 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 720.59388 296.5
[M+Na]+ 742.57582 304.5
[M+NH4]+ 737.62042 301.3
[M+K]+ 758.54976 292.2
[M-H]- 718.57932 304.8
[M+Na-2H]- 740.56127 302.0
[M]+ 719.58605 300.1
[M]- 719.58715 300.1
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.