CID 204345

2-pyrimidinamine, n,n'-(dithiodi-2,1-ethanediyl)bis(1,4,5,6-tetrahydro-, dihydrobromide

Structural Information

Molecular Formula
C12H24N6S2
SMILES
C1CNC(=NC1)NCCSSCCNC2=NCCCN2
InChI
InChI=1S/C12H24N6S2/c1-3-13-11(14-4-1)17-7-9-19-20-10-8-18-12-15-5-2-6-16-12/h1-10H2,(H2,13,14,17)(H2,15,16,18)
InChIKey
ZUGFIRZOJBCSSX-UHFFFAOYSA-N
Compound name
N-[2-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyldisulfanyl]ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1504 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15768 161.5
[M+Na]+ 339.13962 163.7
[M-H]- 315.14312 157.6
[M+NH4]+ 334.18422 169.1
[M+K]+ 355.11356 155.9
[M+H-H2O]+ 299.14766 152.6
[M+HCOO]- 361.14860 164.7
[M+CH3COO]- 375.16425 167.2
[M+Na-2H]- 337.12507 163.6
[M]+ 316.14985 154.4
[M]- 316.15095 154.4
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.