CID 9589176

Brn 4202257

Structural Information

Molecular Formula
C14H14N4O2S
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)CCC(=O)NC2=NC=CS2
InChI
InChI=1S/C14H14N4O2S/c19-12(17-14-15-8-9-21-14)6-7-13(20)18-16-10-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,18,20)(H,15,17,19)/b16-10+
InChIKey
ORYZYUIJKFXYTQ-MHWRWJLKSA-N
Compound name
N'-[(E)-benzylideneamino]-N-(1,3-thiazol-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.08374 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09102 168.2
[M+Na]+ 325.07296 173.1
[M-H]- 301.07646 174.7
[M+NH4]+ 320.11756 183.3
[M+K]+ 341.04690 169.4
[M+H-H2O]+ 285.08100 159.0
[M+HCOO]- 347.08194 190.4
[M+CH3COO]- 361.09759 207.0
[M+Na-2H]- 323.05841 171.0
[M]+ 302.08319 169.8
[M]- 302.08429 169.8
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.