CID 43414946

1154873-08-1

Structural Information

Molecular Formula
C12H13N3O2
SMILES
C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)N
InChI
InChI=1S/C12H13N3O2/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h1-7H,8,13H2,(H2,14,15,16)
InChIKey
ZYEOOUADZDVQBM-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-3-(furan-2-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 150.5
[M+Na]+ 254.08999 156.2
[M-H]- 230.09349 157.6
[M+NH4]+ 249.13459 167.4
[M+K]+ 270.06393 154.4
[M+H-H2O]+ 214.09803 142.7
[M+HCOO]- 276.09897 177.4
[M+CH3COO]- 290.11462 194.4
[M+Na-2H]- 252.07544 156.3
[M]+ 231.10022 148.8
[M]- 231.10132 148.8
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.