CID 99125

33318-63-7

Structural Information

Molecular Formula
C40H57N5
SMILES
CN(C)CCC(CCN(C)C)(CN=CC(CCN(C)C)(CCN(C)C)C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C40H57N5/c1-42(2)27-23-39(24-28-43(3)4,37-21-13-17-33-15-9-11-19-35(33)37)31-41-32-40(25-29-44(5)6,26-30-45(7)8)38-22-14-18-34-16-10-12-20-36(34)38/h9-22,31H,23-30,32H2,1-8H3
InChIKey
ZTEFIOJOXYLSHQ-UHFFFAOYSA-N
Compound name
3-[[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylbutylidene]amino]methyl]-N,N,N',N'-tetramethyl-3-naphthalen-1-ylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

607.4614 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.46868 261.7
[M+Na]+ 630.45062 259.0
[M-H]- 606.45412 272.3
[M+NH4]+ 625.49522 266.4
[M+K]+ 646.42456 256.2
[M+H-H2O]+ 590.45866 247.4
[M+HCOO]- 652.45960 282.1
[M+CH3COO]- 666.47525 293.4
[M+Na-2H]- 628.43607 263.6
[M]+ 607.46085 269.6
[M]- 607.46195 269.6
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.