CID 3051878

N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-n'-(3,4,5-trimethoxyphenyl)urea

Structural Information

Molecular Formula
C20H28N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C20H28N2O4/c1-24-16-7-15(8-17(25-2)18(16)26-3)21-19(23)22-20-9-12-4-13(10-20)6-14(5-12)11-20/h7-8,12-14H,4-6,9-11H2,1-3H3,(H2,21,22,23)
InChIKey
HBGLDROPWINPBT-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.2049 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21218 181.1
[M+Na]+ 383.19412 181.5
[M-H]- 359.19762 178.7
[M+NH4]+ 378.23872 200.0
[M+K]+ 399.16806 179.6
[M+H-H2O]+ 343.20216 172.8
[M+HCOO]- 405.20310 188.5
[M+CH3COO]- 419.21875 187.4
[M+Na-2H]- 381.17957 190.0
[M]+ 360.20435 184.7
[M]- 360.20545 184.7
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.