CID 602660

4-cyclopropyl-6-(methylthio)-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C7H10N4S
SMILES
CSC1=NC(=NC(=N1)N)C2CC2
InChI
InChI=1S/C7H10N4S/c1-12-7-10-5(4-2-3-4)9-6(8)11-7/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKey
XYDFXDHDWLWQLA-UHFFFAOYSA-N
Compound name
4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

182.06262 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06990 141.4
[M+Na]+ 205.05184 152.9
[M-H]- 181.05534 145.0
[M+NH4]+ 200.09644 153.1
[M+K]+ 221.02578 147.6
[M+H-H2O]+ 165.05988 133.2
[M+HCOO]- 227.06082 158.7
[M+CH3COO]- 241.07647 153.5
[M+Na-2H]- 203.03729 145.1
[M]+ 182.06207 144.0
[M]- 182.06317 144.0
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