CID 3006107

Acetanilide,4'-formyl-,thiosemicarbazone

Structural Information

Molecular Formula
C10H12N4OS
SMILES
CC(=NC1=CC=C(C=C1)C=O)NNC(=S)N
InChI
InChI=1S/C10H12N4OS/c1-7(13-14-10(11)16)12-9-4-2-8(6-15)3-5-9/h2-6H,1H3,(H,12,13)(H3,11,14,16)
InChIKey
RCGSKAWKXFAHBK-UHFFFAOYSA-N
Compound name
[[N-(4-formylphenyl)-C-methylcarbonimidoyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07318 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08046 151.9
[M+Na]+ 259.06240 157.3
[M-H]- 235.06590 156.3
[M+NH4]+ 254.10700 169.2
[M+K]+ 275.03634 153.9
[M+H-H2O]+ 219.07044 144.1
[M+HCOO]- 281.07138 174.0
[M+CH3COO]- 295.08703 199.8
[M+Na-2H]- 257.04785 154.4
[M]+ 236.07263 150.1
[M]- 236.07373 150.1
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.