CID 2799110

N-(2-thienylmethyl)urea

Structural Information

Molecular Formula
C6H8N2OS
SMILES
C1=CSC(=C1)CNC(=O)N
InChI
InChI=1S/C6H8N2OS/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)
InChIKey
DBPGMIBBYIGDII-UHFFFAOYSA-N
Compound name
thiophen-2-ylmethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

21
Patents

156.03574 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 131.5
[M+Na]+ 179.02496 139.7
[M+NH4]+ 174.06956 140.0
[M+K]+ 194.99890 134.8
[M-H]- 155.02846 133.5
[M+Na-2H]- 177.01041 136.1
[M]+ 156.03519 133.3
[M]- 156.03629 133.3
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

patents stripe