CID 7616033

941987-60-6

Structural Information

Molecular Formula
C17H17N3O
SMILES
CCC1=CC=C(C=C1)NC(=O)NC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H17N3O/c1-2-12-7-9-13(10-8-12)19-17(21)20-16-11-18-15-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3,(H2,19,20,21)
InChIKey
UJZDIKVQFMCLBE-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

168
Patents

279.13718 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.144456 163.0
[M+Na]+ 302.126398 170.4
[M-H]- 278.129904 168.6
[M+NH4]+ 297.171003 179.2
[M+K]+ 318.100338 164.5
[M+H-H2O]+ 262.134440 154.8
[M+HCOO]- 324.135381 187.2
[M+CH3COO]- 338.151031 174.5
[M+Na-2H]- 300.111846 169.1
[M]+ 279.13663142 162.3
[M]- 279.13772858 162.3
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