CID 28929

3-ethyl-1,1-diphenylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

33
Patents

240.12627 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.3
[M+Na]+ 263.11549 160.0
[M-H]- 239.11899 162.9
[M+NH4]+ 258.16009 172.3
[M+K]+ 279.08943 157.6
[M+H-H2O]+ 223.12353 146.9
[M+HCOO]- 285.12447 181.3
[M+CH3COO]- 299.14012 199.0
[M+Na-2H]- 261.10094 161.6
[M]+ 240.12572 154.5
[M]- 240.12682 154.5
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