CID 9574731

N-[5-[(z)-(carbamothioylhydrazono)methyl]-2-isopropyl-phenyl]acetamide

Structural Information

Molecular Formula
C13H18N4OS
SMILES
CC(C)C1=C(C=C(C=C1)/C=N\NC(=S)N)NC(=O)C
InChI
InChI=1S/C13H18N4OS/c1-8(2)11-5-4-10(7-15-17-13(14)19)6-12(11)16-9(3)18/h4-8H,1-3H3,(H,16,18)(H3,14,17,19)/b15-7-
InChIKey
CUXPSIHHVYNHKH-CHHVJCJISA-N
Compound name
N-[5-[(Z)-(carbamothioylhydrazinylidene)methyl]-2-propan-2-ylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.12012 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12740 165.9
[M+Na]+ 301.10934 170.3
[M-H]- 277.11284 170.0
[M+NH4]+ 296.15394 181.5
[M+K]+ 317.08328 166.9
[M+H-H2O]+ 261.11738 157.8
[M+HCOO]- 323.11832 185.8
[M+CH3COO]- 337.13397 211.6
[M+Na-2H]- 299.09479 165.1
[M]+ 278.11957 164.9
[M]- 278.12067 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.