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
5
Annotation Hits

24
References

30403
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 191.7
[M+NH4]+ 346.16807 188.7
[M+K]+ 367.09741 184.7
[M-H]- 327.12697 186.9
[M+Na-2H]- 349.10892 188.9
[M]+ 328.13370 183.6
[M]- 328.13480 183.6
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