CID 3021808

91334-60-0

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]+ 242.132156 157.5
[M+Na]+ 264.114098 163.2
[M-H]- 240.117604 161.3
[M+NH4]+ 259.158703 176.2
[M+K]+ 280.088038 162.2
[M+H-H2O]+ 224.122140 150.0
[M+HCOO]- 286.123081 176.2
[M+CH3COO]- 300.138731 200.3
[M+Na-2H]- 262.099546 156.3
[M]+ 241.12433142 161.1
[M]- 241.12542858 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.