CID 11546015

Chembl199807

Structural Information

Molecular Formula
C26H23N3O2
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NC3=C(C=CC=N3)OCC4=CC=CC=C4
InChI
InChI=1S/C26H23N3O2/c30-26(28-23-15-13-21(14-16-23)18-20-8-3-1-4-9-20)29-25-24(12-7-17-27-25)31-19-22-10-5-2-6-11-22/h1-17H,18-19H2,(H2,27,28,29,30)
InChIKey
INMXMDIGNPBGLW-UHFFFAOYSA-N
Compound name
1-(4-benzylphenyl)-3-(3-phenylmethoxypyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.17902 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18630 198.8
[M+Na]+ 432.16824 202.4
[M-H]- 408.17174 209.0
[M+NH4]+ 427.21284 205.7
[M+K]+ 448.14218 195.6
[M+H-H2O]+ 392.17628 186.0
[M+HCOO]- 454.17722 221.4
[M+CH3COO]- 468.19287 206.8
[M+Na-2H]- 430.15369 204.1
[M]+ 409.17847 197.4
[M]- 409.17957 197.4
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

No patent data available for this compound.