CID 3051870

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

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]+ 323.19655 176.3
[M+Na]+ 345.17849 179.4
[M-H]- 321.18199 183.4
[M+NH4]+ 340.22309 190.3
[M+K]+ 361.15243 179.3
[M+H-H2O]+ 305.18653 167.5
[M+HCOO]- 367.18747 197.8
[M+CH3COO]- 381.20312 216.1
[M+Na-2H]- 343.16394 176.7
[M]+ 322.18872 177.4
[M]- 322.18982 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.