CID 16116

Siduron

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC1CCCCC1NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)
InChIKey
JXVIIQLNUPXOII-UHFFFAOYSA-N
Compound name
1-(2-methylcyclohexyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

12
References

19827
Patents

232.15756 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 154.1
[M+Na]+ 255.146778 156.9
[M-H]- 231.150284 159.6
[M+NH4]+ 250.191383 170.9
[M+K]+ 271.120718 154.0
[M+H-H2O]+ 215.154820 146.3
[M+HCOO]- 277.155761 175.6
[M+CH3COO]- 291.171411 194.8
[M+Na-2H]- 253.132226 158.0
[M]+ 232.15701142 147.8
[M]- 232.15810858 147.8
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