CID 2804574

1-(4-chlorophenyl)-3-[2-(1h-indol-3-yl)ethyl]urea

Structural Information

Molecular Formula
C17H16ClN3O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClN3O/c18-13-5-7-14(8-6-13)21-17(22)19-10-9-12-11-20-16-4-2-1-3-15(12)16/h1-8,11,20H,9-10H2,(H2,19,21,22)
InChIKey
ODENSRVZLGFMCT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

313.09818 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.105456 170.8
[M+Na]+ 336.087398 179.0
[M-H]- 312.090904 176.0
[M+NH4]+ 331.132003 186.5
[M+K]+ 352.061338 171.4
[M+H-H2O]+ 296.095440 163.1
[M+HCOO]- 358.096381 190.3
[M+CH3COO]- 372.112031 181.8
[M+Na-2H]- 334.072846 176.3
[M]+ 313.09763142 172.4
[M]- 313.09872858 172.4
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

No patent data available for this compound.