CID 206030

Thiocyanic acid, p-ureidophenyl ester

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]+ 194.038266 146.7
[M+Na]+ 216.020208 155.8
[M-H]- 192.023714 150.1
[M+NH4]+ 211.064813 163.9
[M+K]+ 231.994148 152.9
[M+H-H2O]+ 176.028250 133.9
[M+HCOO]- 238.029191 163.2
[M+CH3COO]- 252.044841 196.9
[M+Na-2H]- 214.005656 149.3
[M]+ 193.03044142 141.1
[M]- 193.03153858 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.