CID 218813

41287-60-9

Structural Information

Molecular Formula
C17H29BrN2OS
SMILES
C1=CC(=NC=C1Br)OCCCCCCCCCCNCCS
InChI
InChI=1S/C17H29BrN2OS/c18-16-9-10-17(20-15-16)21-13-8-6-4-2-1-3-5-7-11-19-12-14-22/h9-10,15,19,22H,1-8,11-14H2
InChIKey
RFNDEZXTMRXNRY-UHFFFAOYSA-N
Compound name
2-[10-(5-bromopyridin-2-yl)oxydecylamino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1184 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12568 176.2
[M+Na]+ 411.10762 183.9
[M-H]- 387.11112 179.6
[M+NH4]+ 406.15222 191.1
[M+K]+ 427.08156 169.8
[M+H-H2O]+ 371.11566 173.5
[M+HCOO]- 433.11660 190.8
[M+CH3COO]- 447.13225 217.5
[M+Na-2H]- 409.09307 178.9
[M]+ 388.11785 200.8
[M]- 388.11895 200.8
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.