CID 24835942

Brn 4203642

Structural Information

Molecular Formula
C13H13N5O2S
SMILES
C1=CC=C(C=C1)/C=N\NC(=O)CCC(=O)NC2=NN=CS2
InChI
InChI=1S/C13H13N5O2S/c19-11(16-13-18-15-9-21-13)6-7-12(20)17-14-8-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,20)(H,16,18,19)/b14-8-
InChIKey
FHURLXUBZFPPAC-ZSOIEALJSA-N
Compound name
N'-[(Z)-benzylideneamino]-N-(1,3,4-thiadiazol-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.079 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08628 167.0
[M+Na]+ 326.06822 175.1
[M+NH4]+ 321.11282 172.6
[M+K]+ 342.04216 169.9
[M-H]- 302.07172 169.6
[M+Na-2H]- 324.05367 173.4
[M]+ 303.07845 168.7
[M]- 303.07955 168.7
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.