CID 295048

Inh14

Structural Information

Molecular Formula
C15H16N2O
SMILES
CCC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O/c1-2-12-8-10-14(11-9-12)17-15(18)16-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,16,17,18)
InChIKey
CPCZNJSFVOOZOG-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

41
Patents

240.12627 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.133546 154.9
[M+Na]+ 263.115488 160.4
[M-H]- 239.118994 161.4
[M+NH4]+ 258.160093 171.6
[M+K]+ 279.089428 156.6
[M+H-H2O]+ 223.123530 146.9
[M+HCOO]- 285.124471 180.4
[M+CH3COO]- 299.140121 196.7
[M+Na-2H]- 261.100936 161.2
[M]+ 240.12572142 153.2
[M]- 240.12681858 153.2
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