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

4
Patents

289.9916 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99888 152.8
[M+Na]+ 312.98082 152.2
[M-H]- 288.98432 150.8
[M+NH4]+ 308.02542 167.8
[M+K]+ 328.95476 157.5
[M+H-H2O]+ 272.98886 142.4
[M+HCOO]- 334.98980 173.5
[M+CH3COO]- 349.00545 197.3
[M+Na-2H]- 310.96627 145.6
[M]+ 289.99105 150.1
[M]- 289.99215 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