CID 341920

1-(4-cyanophenyl)-3-(4-methoxyphenyl)urea

Structural Information

Molecular Formula
C15H13N3O2
SMILES
COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H13N3O2/c1-20-14-8-6-13(7-9-14)18-15(19)17-12-4-2-11(10-16)3-5-12/h2-9H,1H3,(H2,17,18,19)
InChIKey
KUUOBHWNEYRZBM-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 166.5
[M+Na]+ 290.08999 178.1
[M+NH4]+ 285.13459 170.4
[M+K]+ 306.06393 168.0
[M-H]- 266.09349 163.5
[M+Na-2H]- 288.07544 171.6
[M]+ 267.10022 166.3
[M]- 267.10132 166.3
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.