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]+ 244.122666 153.8
[M+Na]+ 266.104608 160.8
[M-H]- 242.108114 152.3
[M+NH4]+ 261.149213 166.9
[M+K]+ 282.078548 156.9
[M+H-H2O]+ 226.112650 145.5
[M+HCOO]- 288.113591 168.8
[M+CH3COO]- 302.129241 195.8
[M+Na-2H]- 264.090056 156.8
[M]+ 243.11484142 155.4
[M]- 243.11593858 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.