CID 214484

Brn 3027557

Structural Information

Molecular Formula
C56H89N5
SMILES
CC(C)N(CCC(CCN(C(C)C)C(C)C)(CN=CC(CCN(C(C)C)C(C)C)(CCN(C(C)C)C(C)C)C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43)C(C)C
InChI
InChI=1S/C56H89N5/c1-41(2)58(42(3)4)35-31-55(32-36-59(43(5)6)44(7)8,53-29-21-25-49-23-17-19-27-51(49)53)39-57-40-56(33-37-60(45(9)10)46(11)12,34-38-61(47(13)14)48(15)16)54-30-22-26-50-24-18-20-28-52(50)54/h17-30,39,41-48H,31-38,40H2,1-16H3
InChIKey
MGZRLNKKJWKKQF-UHFFFAOYSA-N
Compound name
3-[[[4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylbutylidene]amino]methyl]-3-naphthalen-1-yl-N,N,N',N'-tetra(propan-2-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

831.7118 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 832.71908 315.6
[M+Na]+ 854.70102 303.6
[M-H]- 830.70452 322.5
[M+NH4]+ 849.74562 310.4
[M+K]+ 870.67496 304.4
[M+H-H2O]+ 814.70906 302.1
[M+HCOO]- 876.71000 322.8
[M+CH3COO]- 890.72565 338.2
[M+Na-2H]- 852.68647 303.3
[M]+ 831.71125 324.0
[M]- 831.71235 324.0
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.