CID 39079

4-isothiazolecarboxylic acid, 5-(2-(diethylamino)acetamido)-3-methyl-

Structural Information

Molecular Formula
C11H17N3O3S
SMILES
CCN(CC)CC(=O)NC1=C(C(=NS1)C)C(=O)O
InChI
InChI=1S/C11H17N3O3S/c1-4-14(5-2)6-8(15)12-10-9(11(16)17)7(3)13-18-10/h4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKey
RXBBINZVRXHMLW-UHFFFAOYSA-N
Compound name
5-[[2-(diethylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09906 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10634 162.3
[M+Na]+ 294.08828 168.3
[M-H]- 270.09178 164.9
[M+NH4]+ 289.13288 179.0
[M+K]+ 310.06222 166.7
[M+H-H2O]+ 254.09632 155.1
[M+HCOO]- 316.09726 180.1
[M+CH3COO]- 330.11291 202.3
[M+Na-2H]- 292.07373 160.4
[M]+ 271.09851 166.5
[M]- 271.09961 166.5
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.