CID 3051880

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

Structural Information

Molecular Formula
C18H30N2O4
SMILES
CCCCN(CCCC)C(=O)NC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C18H30N2O4/c1-6-8-10-20(11-9-7-2)18(21)19-14-12-15(22-3)17(24-5)16(13-14)23-4/h12-13H,6-11H2,1-5H3,(H,19,21)
InChIKey
XEALQATZEGTKFQ-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 184.2
[M+Na]+ 361.20977 188.7
[M-H]- 337.21327 188.6
[M+NH4]+ 356.25437 198.4
[M+K]+ 377.18371 188.3
[M+H-H2O]+ 321.21781 175.8
[M+HCOO]- 383.21875 208.3
[M+CH3COO]- 397.23440 222.1
[M+Na-2H]- 359.19522 184.2
[M]+ 338.22000 192.5
[M]- 338.22110 192.5
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.