CID 9578620

34547-33-6

Structural Information

Molecular Formula
C13H15N3OS
SMILES
CCC1C(=O)N=C(S1)N(C)/N=C/C2=CC=CC=C2
InChI
InChI=1S/C13H15N3OS/c1-3-11-12(17)15-13(18-11)16(2)14-9-10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3/b14-9+
InChIKey
OEXRYOWEDLZKPJ-NTEUORMPSA-N
Compound name
2-[[(E)-benzylideneamino]-methylamino]-5-ethyl-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0936 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10088 159.4
[M+Na]+ 284.08282 167.2
[M-H]- 260.08632 167.9
[M+NH4]+ 279.12742 178.1
[M+K]+ 300.05676 164.3
[M+H-H2O]+ 244.09086 151.1
[M+HCOO]- 306.09180 181.6
[M+CH3COO]- 320.10745 202.6
[M+Na-2H]- 282.06827 160.7
[M]+ 261.09305 162.7
[M]- 261.09415 162.7
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.