CID 9574715

N-[2-acetamido-4-[(e)-(carbamothioylhydrazono)methyl]phenyl]acetamide

Structural Information

Molecular Formula
C12H15N5O2S
SMILES
CC(=O)NC1=C(C=C(C=C1)/C=N/NC(=S)N)NC(=O)C
InChI
InChI=1S/C12H15N5O2S/c1-7(18)15-10-4-3-9(6-14-17-12(13)20)5-11(10)16-8(2)19/h3-6H,1-2H3,(H,15,18)(H,16,19)(H3,13,17,20)/b14-6+
InChIKey
PWNIBEQAUQYLLW-MKMNVTDBSA-N
Compound name
N-[2-acetamido-4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.09464 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10192 166.9
[M+Na]+ 316.08386 171.0
[M-H]- 292.08736 171.1
[M+NH4]+ 311.12846 181.3
[M+K]+ 332.05780 167.9
[M+H-H2O]+ 276.09190 158.2
[M+HCOO]- 338.09284 188.5
[M+CH3COO]- 352.10849 214.8
[M+Na-2H]- 314.06931 167.4
[M]+ 293.09409 165.4
[M]- 293.09519 165.4
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.