CID 3087144

Brn 4191013

Structural Information

Molecular Formula
C7H10N4O2S
SMILES
C1=CSC(=N1)NC(=O)CCC(=O)NN
InChI
InChI=1S/C7H10N4O2S/c8-11-6(13)2-1-5(12)10-7-9-3-4-14-7/h3-4H,1-2,8H2,(H,11,13)(H,9,10,12)
InChIKey
RYXBLICQLADFJM-UHFFFAOYSA-N
Compound name
4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.05244 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.059716 144.3
[M+Na]+ 237.041658 150.0
[M-H]- 213.045164 146.2
[M+NH4]+ 232.086263 162.3
[M+K]+ 253.015598 147.9
[M+H-H2O]+ 197.049700 136.6
[M+HCOO]- 259.050641 164.7
[M+CH3COO]- 273.066291 188.8
[M+Na-2H]- 235.027106 146.2
[M]+ 214.05189142 143.5
[M]- 214.05298858 143.5
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.