CID 29852

19895-44-4

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC(C)NC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)
InChIKey
CIBUQXSYGPGEGX-UHFFFAOYSA-N
Compound name
1-phenyl-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

108
Patents

178.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 140.1
[M+Na]+ 201.09983 145.2
[M-H]- 177.10333 143.6
[M+NH4]+ 196.14443 159.4
[M+K]+ 217.07377 143.9
[M+H-H2O]+ 161.10787 133.6
[M+HCOO]- 223.10881 164.8
[M+CH3COO]- 237.12446 185.6
[M+Na-2H]- 199.08528 145.8
[M]+ 178.11006 138.1
[M]- 178.11116 138.1
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