CID 3008320

333795-14-5

Structural Information

Molecular Formula
C28H33N3O
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C28H33N3O/c32-28(29-26-13-6-2-7-14-26)31(27-15-8-3-9-16-27)20-10-19-30-21-17-25(18-22-30)23-24-11-4-1-5-12-24/h1-9,11-16,25H,10,17-23H2,(H,29,32)
InChIKey
GQZSBYCMCKQSTQ-UHFFFAOYSA-N
Compound name
1-[3-(4-benzylpiperidin-1-yl)propyl]-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

427.26236 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.26964 206.0
[M+Na]+ 450.25158 204.9
[M-H]- 426.25508 215.5
[M+NH4]+ 445.29618 212.3
[M+K]+ 466.22552 198.9
[M+H-H2O]+ 410.25962 192.5
[M+HCOO]- 472.26056 224.1
[M+CH3COO]- 486.27621 211.9
[M+Na-2H]- 448.23703 207.1
[M]+ 427.26181 200.5
[M]- 427.26291 200.5
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