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]+ 272.106336 162.3
[M+Na]+ 294.088278 168.3
[M-H]- 270.091784 164.9
[M+NH4]+ 289.132883 179.0
[M+K]+ 310.062218 166.7
[M+H-H2O]+ 254.096320 155.1
[M+HCOO]- 316.097261 180.1
[M+CH3COO]- 330.112911 202.3
[M+Na-2H]- 292.073726 160.4
[M]+ 271.09851142 166.5
[M]- 271.09960858 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.