CID 206030

P-ureidophenyl thiocyanate

Structural Information

Molecular Formula
C8H7N3OS
SMILES
C1=CC(=CC=C1NC(=O)N)SC#N
InChI
InChI=1S/C8H7N3OS/c9-5-13-7-3-1-6(2-4-7)11-8(10)12/h1-4H,(H3,10,11,12)
InChIKey
UMRWOUROKYHOQH-UHFFFAOYSA-N
Compound name
[4-(carbamoylamino)phenyl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.03099 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03827 146.7
[M+Na]+ 216.02021 155.8
[M-H]- 192.02371 150.1
[M+NH4]+ 211.06481 163.9
[M+K]+ 231.99415 152.9
[M+H-H2O]+ 176.02825 133.9
[M+HCOO]- 238.02919 163.2
[M+CH3COO]- 252.04484 196.9
[M+Na-2H]- 214.00566 149.3
[M]+ 193.03044 141.1
[M]- 193.03154 141.1
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.