CID 11501398

Chembl378790

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CC(C)C1=CC=CC=C1NC(=O)NC2=C(C=CC=N2)OCC3=CC=CC=C3
InChI
InChI=1S/C22H23N3O2/c1-16(2)18-11-6-7-12-19(18)24-22(26)25-21-20(13-8-14-23-21)27-15-17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3,(H2,23,24,25,26)
InChIKey
UQSHJCGSQYMYMW-UHFFFAOYSA-N
Compound name
1-(3-phenylmethoxypyridin-2-yl)-3-(2-propan-2-ylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.17902 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 187.9
[M+Na]+ 384.16824 191.9
[M-H]- 360.17174 195.7
[M+NH4]+ 379.21284 197.6
[M+K]+ 400.14218 187.0
[M+H-H2O]+ 344.17628 176.8
[M+HCOO]- 406.17722 210.1
[M+CH3COO]- 420.19287 220.5
[M+Na-2H]- 382.15369 191.5
[M]+ 361.17847 187.6
[M]- 361.17957 187.6
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

No patent data available for this compound.