CID 2815668

Schembl32681190

Structural Information

Molecular Formula
C22H19N3O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)NCC3=CC=C(C=C3)C#N
InChI
InChI=1S/C22H19N3O2/c23-14-17-6-8-18(9-7-17)15-24-22(26)25-20-10-12-21(13-11-20)27-16-19-4-2-1-3-5-19/h1-13H,15-16H2,(H2,24,25,26)
InChIKey
IERFTTOEXQZMLJ-UHFFFAOYSA-N
Compound name
1-[(4-cyanophenyl)methyl]-3-(4-phenylmethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

357.14774 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.155016 193.2
[M+Na]+ 380.136958 200.3
[M-H]- 356.140464 199.7
[M+NH4]+ 375.181563 202.8
[M+K]+ 396.110898 192.6
[M+H-H2O]+ 340.145000 176.7
[M+HCOO]- 402.145941 213.3
[M+CH3COO]- 416.161591 226.5
[M+Na-2H]- 378.122406 196.1
[M]+ 357.14719142 187.3
[M]- 357.14828858 187.3
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