CID 3051872

Urea, n-cycloheptyl-n'-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C17H26N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NC2CCCCCC2
InChI
InChI=1S/C17H26N2O4/c1-21-14-10-13(11-15(22-2)16(14)23-3)19-17(20)18-12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3,(H2,18,19,20)
InChIKey
QAJAESIFSBFOGO-UHFFFAOYSA-N
Compound name
1-cycloheptyl-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

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 176.4
[M+Na]+ 345.17849 183.3
[M+NH4]+ 340.22309 181.8
[M+K]+ 361.15243 179.5
[M-H]- 321.18199 179.3
[M+Na-2H]- 343.16394 180.6
[M]+ 322.18872 177.8
[M]- 322.18982 177.8
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.