CID 3051870

N-cyclohexyl-n-methyl-n'-(3,4,5-trimethoxyphenyl)urea

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CN(C1CCCCC1)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H26N2O4/c1-19(13-8-6-5-7-9-13)17(20)18-12-10-14(21-2)16(23-4)15(11-12)22-3/h10-11,13H,5-9H2,1-4H3,(H,18,20)
InChIKey
RXZIJZZFPRXOCB-UHFFFAOYSA-N
Compound name
1-cyclohexyl-1-methyl-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.196546 176.3
[M+Na]+ 345.178488 179.4
[M-H]- 321.181994 183.4
[M+NH4]+ 340.223093 190.3
[M+K]+ 361.152428 179.3
[M+H-H2O]+ 305.186530 167.5
[M+HCOO]- 367.187471 197.8
[M+CH3COO]- 381.203121 216.1
[M+Na-2H]- 343.163936 176.7
[M]+ 322.18872142 177.4
[M]- 322.18981858 177.4
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

No patent data available for this compound.