CID 603744

Deisopropylametryne

Structural Information

Molecular Formula
C6H11N5S
SMILES
CCNC1=NC(=NC(=N1)N)SC
InChI
InChI=1S/C6H11N5S/c1-3-8-5-9-4(7)10-6(11-5)12-2/h3H2,1-2H3,(H3,7,8,9,10,11)
InChIKey
CMKCJDAIKRRBDY-UHFFFAOYSA-N
Compound name
2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

185.07352 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.08080 137.5
[M+Na]+ 208.06274 146.9
[M-H]- 184.06624 137.4
[M+NH4]+ 203.10734 153.7
[M+K]+ 224.03668 143.2
[M+H-H2O]+ 168.07078 129.8
[M+HCOO]- 230.07172 155.2
[M+CH3COO]- 244.08737 185.7
[M+Na-2H]- 206.04819 142.4
[M]+ 185.07297 138.2
[M]- 185.07407 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe