CID 444581

1-(2-amidinophenyl)-3-(phenoxyphenyl)urea

Structural Information

Molecular Formula
C20H18N4O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C20H18N4O2/c21-19(22)14-6-8-15(9-7-14)23-20(25)24-16-10-12-18(13-11-16)26-17-4-2-1-3-5-17/h1-13H,(H3,21,22)(H2,23,24,25)
InChIKey
ZHCAYBOLUMAUQX-UHFFFAOYSA-N
Compound name
1-(4-carbamimidoylphenyl)-3-(4-phenoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

346.14297 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.150246 179.5
[M+Na]+ 369.132188 183.0
[M-H]- 345.135694 188.4
[M+NH4]+ 364.176793 190.1
[M+K]+ 385.106128 178.3
[M+H-H2O]+ 329.140230 169.2
[M+HCOO]- 391.141171 205.3
[M+CH3COO]- 405.156821 221.4
[M+Na-2H]- 367.117636 184.2
[M]+ 346.14242142 175.2
[M]- 346.14351858 175.2
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