CID 3079250

Brn 4210249

Structural Information

Molecular Formula
C12H14N4O7S
SMILES
C1=C(N=C(S1)NC(=O)CCC(=O)C(CC(=O)O)C(=O)O)C(=O)NN
InChI
InChI=1S/C12H14N4O7S/c13-16-10(21)6-4-24-12(14-6)15-8(18)2-1-7(17)5(11(22)23)3-9(19)20/h4-5H,1-3,13H2,(H,16,21)(H,19,20)(H,22,23)(H,14,15,18)
InChIKey
YQMADPKYGULGHR-UHFFFAOYSA-N
Compound name
2-[4-[[4-(hydrazinecarbonyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.05832 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06560 177.7
[M+Na]+ 381.04754 179.0
[M-H]- 357.05104 176.3
[M+NH4]+ 376.09214 187.2
[M+K]+ 397.02148 178.3
[M+H-H2O]+ 341.05558 169.7
[M+HCOO]- 403.05652 190.8
[M+CH3COO]- 417.07217 213.7
[M+Na-2H]- 379.03299 173.1
[M]+ 358.05777 177.7
[M]- 358.05887 177.7
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.