CID 3071774

Brn 5356180

Structural Information

Molecular Formula
C21H34N2O2S2
SMILES
CN(C)CC1=CC=C(O1)CSCCCCCSCC2=CC=C(O2)CN(C)C
InChI
InChI=1S/C21H34N2O2S2/c1-22(2)14-18-8-10-20(24-18)16-26-12-6-5-7-13-27-17-21-11-9-19(25-21)15-23(3)4/h8-11H,5-7,12-17H2,1-4H3
InChIKey
DCTRPSAPKPORBP-UHFFFAOYSA-N
Compound name
1-[5-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]pentylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.20618 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21346 205.4
[M+Na]+ 433.19540 211.3
[M-H]- 409.19890 215.7
[M+NH4]+ 428.24000 219.3
[M+K]+ 449.16934 209.5
[M+H-H2O]+ 393.20344 198.1
[M+HCOO]- 455.20438 221.6
[M+CH3COO]- 469.22003 232.6
[M+Na-2H]- 431.18085 201.3
[M]+ 410.20563 218.6
[M]- 410.20673 218.6
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.