CID 5711038

Tyrosinase-in-2

Structural Information

Molecular Formula
C8H8N4O2S
SMILES
C1=CC(=CC=C1/C=N/NC(=S)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O2S/c9-8(15)11-10-5-6-1-3-7(4-2-6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+
InChIKey
HSDCBIHJEGDMDO-BJMVGYQFSA-N
Compound name
[(E)-(4-nitrophenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

0
Patents

224.0368 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04408 142.0
[M+Na]+ 247.02602 147.3
[M-H]- 223.02952 146.4
[M+NH4]+ 242.07062 158.9
[M+K]+ 262.99996 140.0
[M+H-H2O]+ 207.03406 139.0
[M+HCOO]- 269.03500 165.4
[M+CH3COO]- 283.05065 188.4
[M+Na-2H]- 245.01147 147.7
[M]+ 224.03625 138.5
[M]- 224.03735 138.5
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.