CID 43414945

1-(4-aminophenyl)-3-(oxolan-2-ylmethyl)urea

Structural Information

Molecular Formula
C12H17N3O2
SMILES
C1CC(OC1)CNC(=O)NC2=CC=C(C=C2)N
InChI
InChI=1S/C12H17N3O2/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h3-6,11H,1-2,7-8,13H2,(H2,14,15,16)
InChIKey
PBXAKOQQFUMWLR-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-3-(oxolan-2-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13208 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 152.8
[M+Na]+ 258.12130 156.5
[M-H]- 234.12480 159.1
[M+NH4]+ 253.16590 169.4
[M+K]+ 274.09524 155.1
[M+H-H2O]+ 218.12934 145.1
[M+HCOO]- 280.13028 176.8
[M+CH3COO]- 294.14593 195.1
[M+Na-2H]- 256.10675 156.7
[M]+ 235.13153 148.3
[M]- 235.13263 148.3
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.