CID 3060921

C 5320

Structural Information

Molecular Formula
C23H30ClN3O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN2CCCCC2)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C23H30ClN3O2/c1-18-7-6-8-21(24)22(18)25-23(28)27(16-15-26-13-4-3-5-14-26)17-19-9-11-20(29-2)12-10-19/h6-12H,3-5,13-17H2,1-2H3,(H,25,28)
InChIKey
FCZSKUQSGTYEDJ-UHFFFAOYSA-N
Compound name
3-(2-chloro-6-methylphenyl)-1-[(4-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.20267 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20995 202.5
[M+Na]+ 438.19189 205.1
[M-H]- 414.19539 210.3
[M+NH4]+ 433.23649 211.7
[M+K]+ 454.16583 199.9
[M+H-H2O]+ 398.19993 191.5
[M+HCOO]- 460.20087 217.0
[M+CH3COO]- 474.21652 231.5
[M+Na-2H]- 436.17734 201.7
[M]+ 415.20212 203.0
[M]- 415.20322 203.0
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.