CID 3021808

Brn 0986630

Structural Information

Molecular Formula
C11H19N3OS
SMILES
CCN(CC)C(C)C(=O)NC1=CC(=NS1)C
InChI
InChI=1S/C11H19N3OS/c1-5-14(6-2)9(4)11(15)12-10-7-8(3)13-16-10/h7,9H,5-6H2,1-4H3,(H,12,15)
InChIKey
MOKLTHYKQBSIPR-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(3-methyl-1,2-thiazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.12488 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13216 157.5
[M+Na]+ 264.11410 163.2
[M-H]- 240.11760 161.3
[M+NH4]+ 259.15870 176.2
[M+K]+ 280.08804 162.2
[M+H-H2O]+ 224.12214 150.0
[M+HCOO]- 286.12308 176.2
[M+CH3COO]- 300.13873 200.3
[M+Na-2H]- 262.09955 156.3
[M]+ 241.12433 161.1
[M]- 241.12543 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.