CID 608030

Deethylametryne

Structural Information

Molecular Formula
C7H13N5S
SMILES
CC(C)NC1=NC(=NC(=N1)N)SC
InChI
InChI=1S/C7H13N5S/c1-4(2)9-6-10-5(8)11-7(12-6)13-3/h4H,1-3H3,(H3,8,9,10,11,12)
InChIKey
PWERJYSEXWGFLB-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

49
Patents

199.08917 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09645 142.4
[M+Na]+ 222.07839 151.1
[M-H]- 198.08189 142.3
[M+NH4]+ 217.12299 157.9
[M+K]+ 238.05233 147.7
[M+H-H2O]+ 182.08643 134.6
[M+HCOO]- 244.08737 158.8
[M+CH3COO]- 258.10302 189.6
[M+Na-2H]- 220.06384 145.7
[M]+ 199.08862 142.9
[M]- 199.08972 142.9
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