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

35647
Patents

328.13425 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.