CID 11675245

Chembl199550

Structural Information

Molecular Formula
C20H19N5O3
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=CC(=C3)NC(=O)N
InChI
InChI=1S/C20H19N5O3/c21-19(26)23-15-8-4-9-16(12-15)24-20(27)25-18-17(10-5-11-22-18)28-13-14-6-2-1-3-7-14/h1-12H,13H2,(H3,21,23,26)(H2,22,24,25,27)
InChIKey
BBHQUPQETIOAOA-UHFFFAOYSA-N
Compound name
1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxypyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.1488 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.15608 185.6
[M+Na]+ 400.13802 188.8
[M-H]- 376.14152 193.2
[M+NH4]+ 395.18262 193.5
[M+K]+ 416.11196 184.7
[M+H-H2O]+ 360.14606 174.2
[M+HCOO]- 422.14700 210.3
[M+CH3COO]- 436.16265 225.7
[M+Na-2H]- 398.12347 190.9
[M]+ 377.14825 183.0
[M]- 377.14935 183.0
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.