CID 79154837

1-[2-(4-aminophenyl)ethyl]-3,3-dimethylurea

Structural Information

Molecular Formula
C11H17N3O
SMILES
CN(C)C(=O)NCCC1=CC=C(C=C1)N
InChI
InChI=1S/C11H17N3O/c1-14(2)11(15)13-8-7-9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3,(H,13,15)
InChIKey
DBCWUUBXEABVRB-UHFFFAOYSA-N
Compound name
3-[2-(4-aminophenyl)ethyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14444 148.4
[M+Na]+ 230.12638 153.6
[M-H]- 206.12988 152.9
[M+NH4]+ 225.17098 166.9
[M+K]+ 246.10032 152.7
[M+H-H2O]+ 190.13442 141.2
[M+HCOO]- 252.13536 174.7
[M+CH3COO]- 266.15101 196.9
[M+Na-2H]- 228.11183 152.5
[M]+ 207.13661 147.3
[M]- 207.13771 147.3
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.