CID 79431

Nsc 4479

Structural Information

Molecular Formula
C10H16N10OS2
SMILES
C(CSCCSC1=NC(=NC(=N1)N)N)OC2=NC(=NC(=N2)N)N
InChI
InChI=1S/C10H16N10OS2/c11-5-15-6(12)18-9(17-5)21-1-2-22-3-4-23-10-19-7(13)16-8(14)20-10/h1-4H2,(H4,11,12,15,17,18)(H4,13,14,16,19,20)
InChIKey
ZMSYHBBSTRKMQF-UHFFFAOYSA-N
Compound name
6-[2-[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]ethylsulfanyl]ethoxy]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.095 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10228 169.1
[M+Na]+ 379.08422 178.5
[M-H]- 355.08772 167.1
[M+NH4]+ 374.12882 173.5
[M+K]+ 395.05816 169.1
[M+H-H2O]+ 339.09226 160.2
[M+HCOO]- 401.09320 178.4
[M+CH3COO]- 415.10885 176.5
[M+Na-2H]- 377.06967 172.2
[M]+ 356.09445 168.7
[M]- 356.09555 168.7
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.