CID 3009845

1-naphthalenemethanamine, n,n'-dithiobis[n'-phenyl-

Structural Information

Molecular Formula
C34H28N2S2
SMILES
C1=CC=C(C=C1)N(CC2=CC=CC3=CC=CC=C32)SSN(CC4=CC=CC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C34H28N2S2/c1-3-19-31(20-4-1)35(25-29-17-11-15-27-13-7-9-23-33(27)29)37-38-36(32-21-5-2-6-22-32)26-30-18-12-16-28-14-8-10-24-34(28)30/h1-24H,25-26H2
InChIKey
ULWLCAAAPLYZCN-UHFFFAOYSA-N
Compound name
N-(naphthalen-1-ylmethyl)-N-[[N-(naphthalen-1-ylmethyl)anilino]disulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

528.1694 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.17668 220.7
[M+Na]+ 551.15862 225.7
[M-H]- 527.16212 233.9
[M+NH4]+ 546.20322 228.0
[M+K]+ 567.13256 216.9
[M+H-H2O]+ 511.16666 208.7
[M+HCOO]- 573.16760 234.0
[M+CH3COO]- 587.18325 227.4
[M+Na-2H]- 549.14407 226.8
[M]+ 528.16885 224.1
[M]- 528.16995 224.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.