CID 3086769

N,n'-bis(4,5-dihydro-5-methyl-2-thiazolyl)-1,2-ethanediamine dihydrochloride

Structural Information

Molecular Formula
C10H18N4S2
SMILES
CC1CN=C(S1)NCCNC2=NCC(S2)C
InChI
InChI=1S/C10H18N4S2/c1-7-5-13-9(15-7)11-3-4-12-10-14-6-8(2)16-10/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKey
MWQHXTYRZLMUEM-UHFFFAOYSA-N
Compound name
N,N'-bis(5-methyl-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

258.0973 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10458 154.6
[M+Na]+ 281.08652 162.6
[M-H]- 257.09002 159.0
[M+NH4]+ 276.13112 173.4
[M+K]+ 297.06046 158.5
[M+H-H2O]+ 241.09456 147.8
[M+HCOO]- 303.09550 168.1
[M+CH3COO]- 317.11115 166.1
[M+Na-2H]- 279.07197 152.7
[M]+ 258.09675 155.2
[M]- 258.09785 155.2
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.