CID 3054545

Brn 2776434

Structural Information

Molecular Formula
C26H28N2S2
SMILES
C1=CC=C2C(=C1)C=CC=C2CNCCSSCCNCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H28N2S2/c1-3-13-25-21(7-1)9-5-11-23(25)19-27-15-17-29-30-18-16-28-20-24-12-6-10-22-8-2-4-14-26(22)24/h1-14,27-28H,15-20H2
InChIKey
WMLRAFOYUUHIJB-UHFFFAOYSA-N
Compound name
N-(naphthalen-1-ylmethyl)-2-[2-(naphthalen-1-ylmethylamino)ethyldisulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.1694 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.17668 193.0
[M+Na]+ 455.15862 198.9
[M-H]- 431.16212 199.0
[M+NH4]+ 450.20322 204.7
[M+K]+ 471.13256 188.9
[M+H-H2O]+ 415.16666 184.0
[M+HCOO]- 477.16760 206.0
[M+CH3COO]- 491.18325 201.1
[M+Na-2H]- 453.14407 199.4
[M]+ 432.16885 197.5
[M]- 432.16995 197.5
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.