CID 199709

1h-imidazol-2-amine, n,n-(dithiodi-2,1-ethanediyl)bis(4,5-dihydro-, dihydrobromide

Structural Information

Molecular Formula
C10H20N6S2
SMILES
C1CN=C(N1)NCCSSCCNC2=NCCN2
InChI
InChI=1S/C10H20N6S2/c1-2-12-9(11-1)15-5-7-17-18-8-6-16-10-13-3-4-14-10/h1-8H2,(H2,11,12,15)(H2,13,14,16)
InChIKey
LMHARQKIMNDHPP-UHFFFAOYSA-N
Compound name
N-[2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyldisulfanyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.11908 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12636 155.6
[M+Na]+ 311.10830 161.4
[M-H]- 287.11180 154.2
[M+NH4]+ 306.15290 168.8
[M+K]+ 327.08224 155.8
[M+H-H2O]+ 271.11634 147.7
[M+HCOO]- 333.11728 164.3
[M+CH3COO]- 347.13293 164.2
[M+Na-2H]- 309.09375 154.7
[M]+ 288.11853 152.9
[M]- 288.11963 152.9
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.