CID 13880

1-methyl-3-phenylurea

Structural Information

Molecular Formula
C8H10N2O
SMILES
CNC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C8H10N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)
InChIKey
SQBHGDSDVWCPHN-UHFFFAOYSA-N
Compound name
1-methyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1082
Patents

150.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 131.3
[M+Na]+ 173.06854 142.1
[M+NH4]+ 168.11314 139.7
[M+K]+ 189.04248 136.3
[M-H]- 149.07204 134.2
[M+Na-2H]- 171.05399 138.7
[M]+ 150.07877 133.4
[M]- 150.07987 133.4
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