CID 3086775

N,n'-bis(5-(bromomethyl)-4,5-dihydro-2-thiazolyl)-1,2-ethanediamine dihydrobromide

Structural Information

Molecular Formula
C10H16Br2N4S2
SMILES
C1C(SC(=N1)NCCNC2=NCC(S2)CBr)CBr
InChI
InChI=1S/C10H16Br2N4S2/c11-3-7-5-15-9(17-7)13-1-2-14-10-16-6-8(4-12)18-10/h7-8H,1-6H2,(H,13,15)(H,14,16)
InChIKey
AVTZRNUMOWZLRG-UHFFFAOYSA-N
Compound name
N,N'-bis[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.9183 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.92558 142.5
[M+Na]+ 436.90752 154.2
[M-H]- 412.91102 150.1
[M+NH4]+ 431.95212 160.0
[M+K]+ 452.88146 137.1
[M+H-H2O]+ 396.91556 149.8
[M+HCOO]- 458.91650 151.7
[M+CH3COO]- 472.93215 155.8
[M+Na-2H]- 434.89297 145.9
[M]+ 413.91775 176.5
[M]- 413.91885 176.5
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.