CID 91692

Pencycuron

Structural Information

Molecular Formula

C₁₉H₂₁ClN₂O

SMILES

C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)

InChIKey

OGYFATSSENRIKG-UHFFFAOYSA-N

Compound name

1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 24
References: 33019
Patents: 328.13425 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	329.14153	179.6
[M+Na]+	351.12347	183.4
[M-H]-	327.12697	189.5
[M+NH4]+	346.16807	195.3
[M+K]+	367.09741	178.1
[M+H-H2O]+	311.13151	170.9
[M+HCOO]-	373.13245	198.9
[M+CH3COO]-	387.14810	212.1
[M+Na-2H]-	349.10892	180.3
[M]+	328.13370	178.3
[M]-	328.13480	178.3

Literature stripe

literature stripe

Patent stripe

patents stripe