CID 179686

3-(4-iodophenyl)-1,1-dimethylurea

Structural Information

Molecular Formula
C9H11IN2O
SMILES
CN(C)C(=O)NC1=CC=C(C=C1)I
InChI
InChI=1S/C9H11IN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKey
QXWBCYDYAGDZBL-UHFFFAOYSA-N
Compound name
3-(4-iodophenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

289.9916 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.998876 152.8
[M+Na]+ 312.980818 152.2
[M-H]- 288.984324 150.8
[M+NH4]+ 308.025423 167.8
[M+K]+ 328.954758 157.5
[M+H-H2O]+ 272.988860 142.4
[M+HCOO]- 334.989801 173.5
[M+CH3COO]- 349.005451 197.3
[M+Na-2H]- 310.966266 145.6
[M]+ 289.99105142 150.1
[M]- 289.99214858 150.1
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

patents stripe