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 295.1
[M+Na]+ 742.57582 288.6
[M-H]- 718.57932 303.6
[M+NH4]+ 737.62042 294.9
[M+K]+ 758.54976 284.4
[M+H-H2O]+ 702.58386 279.1
[M+HCOO]- 764.58480 312.4
[M+CH3COO]- 778.60045 314.6
[M+Na-2H]- 740.56127 293.0
[M]+ 719.58605 305.1
[M]- 719.58715 305.1
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.