CID 135624091

Brn 4206119

Structural Information

Molecular Formula
C13H13N5O3S
SMILES
C1=CC(=CC=C1/C=N/NC(=O)CCC(=O)NC2=NN=CS2)O
InChI
InChI=1S/C13H13N5O3S/c19-10-3-1-9(2-4-10)7-14-17-12(21)6-5-11(20)16-13-18-15-8-22-13/h1-4,7-8,19H,5-6H2,(H,17,21)(H,16,18,20)/b14-7+
InChIKey
XFRLJHBMHJEPKV-VGOFMYFVSA-N
Compound name
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(1,3,4-thiadiazol-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08118 169.6
[M+Na]+ 342.06312 175.1
[M-H]- 318.06662 174.0
[M+NH4]+ 337.10772 182.1
[M+K]+ 358.03706 171.3
[M+H-H2O]+ 302.07116 160.3
[M+HCOO]- 364.07210 189.6
[M+CH3COO]- 378.08775 207.8
[M+Na-2H]- 340.04857 172.3
[M]+ 319.07335 171.2
[M]- 319.07445 171.2
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.