CID 3321711

292165-18-5

Structural Information

Molecular Formula
C18H20N2S2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2SCCN)SCCN
InChI
InChI=1S/C18H20N2S2/c19-9-11-21-17-13-5-1-2-6-14(13)18(22-12-10-20)16-8-4-3-7-15(16)17/h1-8H,9-12,19-20H2
InChIKey
RLPBUWHUIMRPDD-UHFFFAOYSA-N
Compound name
2-[10-(2-aminoethylsulfanyl)anthracen-9-yl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11406 166.8
[M+Na]+ 351.09600 175.5
[M-H]- 327.09950 170.4
[M+NH4]+ 346.14060 183.1
[M+K]+ 367.06994 166.9
[M+H-H2O]+ 311.10404 160.1
[M+HCOO]- 373.10498 179.4
[M+CH3COO]- 387.12063 177.2
[M+Na-2H]- 349.08145 171.5
[M]+ 328.10623 170.0
[M]- 328.10733 170.0
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.