CID 9575086

4-acetamido-3-iodobenzaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C10H11IN4OS
SMILES
CC(=O)NC1=C(C=C(C=C1)/C=N/NC(=S)N)I
InChI
InChI=1S/C10H11IN4OS/c1-6(16)14-9-3-2-7(4-8(9)11)5-13-15-10(12)17/h2-5H,1H3,(H,14,16)(H3,12,15,17)/b13-5+
InChIKey
IMUKSEMMIHBEFO-WLRTZDKTSA-N
Compound name
N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

361.96982 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.97710 175.6
[M+Na]+ 384.95904 174.2
[M-H]- 360.96254 173.0
[M+NH4]+ 380.00364 187.2
[M+K]+ 400.93298 176.3
[M+H-H2O]+ 344.96708 163.8
[M+HCOO]- 406.96802 191.8
[M+CH3COO]- 420.98367 211.7
[M+Na-2H]- 382.94449 164.0
[M]+ 361.96927 171.4
[M]- 361.97037 171.4
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.