CID 3071776

Brn 5357514

Structural Information

Molecular Formula
C23H38N2O2S2
SMILES
CN(C)CC1=CC=C(O1)CSCCCCCCCSCC2=CC=C(O2)CN(C)C
InChI
InChI=1S/C23H38N2O2S2/c1-24(2)16-20-10-12-22(26-20)18-28-14-8-6-5-7-9-15-29-19-23-13-11-21(27-23)17-25(3)4/h10-13H,5-9,14-19H2,1-4H3
InChIKey
NOWQNKKWTMXZLC-UHFFFAOYSA-N
Compound name
1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.23746 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.24474 213.9
[M+Na]+ 461.22668 218.9
[M-H]- 437.23018 223.8
[M+NH4]+ 456.27128 226.6
[M+K]+ 477.20062 216.6
[M+H-H2O]+ 421.23472 206.2
[M+HCOO]- 483.23566 229.4
[M+CH3COO]- 497.25131 238.2
[M+Na-2H]- 459.21213 208.9
[M]+ 438.23691 227.7
[M]- 438.23801 227.7
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

No patent data available for this compound.