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 166.7
[M+Na]+ 326.06822 172.2
[M-H]- 302.07172 172.2
[M+NH4]+ 321.11282 180.5
[M+K]+ 342.04216 168.6
[M+H-H2O]+ 286.07626 157.0
[M+HCOO]- 348.07720 188.1
[M+CH3COO]- 362.09285 206.7
[M+Na-2H]- 324.05367 170.3
[M]+ 303.07845 168.5
[M]- 303.07955 168.5
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.