CID 4357

N-cyclohexyl-n'-(4-iodophenyl)urea

Structural Information

Molecular Formula
C13H17IN2O
SMILES
C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)I
InChI
InChI=1S/C13H17IN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
InChIKey
AQTBUVAFYDVTFD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(4-iodophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

41
Patents

344.03857 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.04585 166.7
[M+Na]+ 367.02779 162.7
[M-H]- 343.03129 164.8
[M+NH4]+ 362.07239 178.2
[M+K]+ 383.00173 165.6
[M+H-H2O]+ 327.03583 155.1
[M+HCOO]- 389.03677 183.0
[M+CH3COO]- 403.05242 202.3
[M+Na-2H]- 365.01324 158.3
[M]+ 344.03802 157.6
[M]- 344.03912 157.6
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