CID 165362571

2-{[4-(ethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]amino}propan-1-ol

Structural Information

Molecular Formula
C9H17N5OS
SMILES
CCNC1=NC(=NC(=N1)SC)NC(C)CO
InChI
InChI=1S/C9H17N5OS/c1-4-10-7-12-8(11-6(2)5-15)14-9(13-7)16-3/h6,15H,4-5H2,1-3H3,(H2,10,11,12,13,14)
InChIKey
RGQYWYNUWYQFOQ-UHFFFAOYSA-N
Compound name
2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.11539 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.12267 153.8
[M+Na]+ 266.10461 160.8
[M-H]- 242.10811 152.3
[M+NH4]+ 261.14921 166.9
[M+K]+ 282.07855 156.9
[M+H-H2O]+ 226.11265 145.5
[M+HCOO]- 288.11359 168.8
[M+CH3COO]- 302.12924 195.8
[M+Na-2H]- 264.09006 156.8
[M]+ 243.11484 155.4
[M]- 243.11594 155.4
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

No patent data available for this compound.