CID 317663

2,2'-dithiodi(1-naphthylamine)

Structural Information

Molecular Formula
C20H16N2S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2N)SSC3=C(C4=CC=CC=C4C=C3)N
InChI
InChI=1S/C20H16N2S2/c21-19-15-7-3-1-5-13(15)9-11-17(19)23-24-18-12-10-14-6-2-4-8-16(14)20(18)22/h1-12H,21-22H2
InChIKey
LCXOEQDSHXTPFA-UHFFFAOYSA-N
Compound name
2-[(1-aminonaphthalen-2-yl)disulfanyl]naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

348.0755 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08278 171.7
[M+Na]+ 371.06472 182.1
[M-H]- 347.06822 178.9
[M+NH4]+ 366.10932 187.0
[M+K]+ 387.03866 172.7
[M+H-H2O]+ 331.07276 164.5
[M+HCOO]- 393.07370 185.3
[M+CH3COO]- 407.08935 182.5
[M+Na-2H]- 369.05017 177.6
[M]+ 348.07495 173.7
[M]- 348.07605 173.7
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

patents stripe