CID 28710264

N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride

Structural Information

Molecular Formula
C9H13BrN2OS
SMILES
CC(=O)NCCNCC1=CC=C(S1)Br
InChI
InChI=1S/C9H13BrN2OS/c1-7(13)12-5-4-11-6-8-2-3-9(10)14-8/h2-3,11H,4-6H2,1H3,(H,12,13)
InChIKey
LOSTZXUCNODLLQ-UHFFFAOYSA-N
Compound name
N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00048 148.7
[M+Na]+ 298.98242 159.0
[M-H]- 274.98592 154.9
[M+NH4]+ 294.02702 170.2
[M+K]+ 314.95636 146.7
[M+H-H2O]+ 258.99046 147.3
[M+HCOO]- 320.99140 167.5
[M+CH3COO]- 335.00705 196.9
[M+Na-2H]- 296.96787 152.0
[M]+ 275.99265 168.6
[M]- 275.99375 168.6
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.