CID 735609

3-(4-bromophenyl)-1,1-diethylurea

Structural Information

Molecular Formula
C11H15BrN2O
SMILES
CCN(CC)C(=O)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C11H15BrN2O/c1-3-14(4-2)11(15)13-10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKey
HSAGFECTAIXETP-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

270.03677 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04405 154.1
[M+Na]+ 293.02599 163.0
[M-H]- 269.02949 161.2
[M+NH4]+ 288.07059 174.1
[M+K]+ 308.99993 152.6
[M+H-H2O]+ 253.03403 152.2
[M+HCOO]- 315.03497 177.0
[M+CH3COO]- 329.05062 201.6
[M+Na-2H]- 291.01144 159.8
[M]+ 270.03622 173.0
[M]- 270.03732 173.0
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

patents stripe