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 177.5
[M+Na]+ 381.04754 177.4
[M+NH4]+ 376.09214 177.4
[M+K]+ 397.02148 180.1
[M-H]- 357.05104 172.3
[M+Na-2H]- 379.03299 174.5
[M]+ 358.05777 175.0
[M]- 358.05887 175.0
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.