CID 3051872

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

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]+ 323.196546 174.1
[M+Na]+ 345.178488 175.5
[M-H]- 321.181994 180.9
[M+NH4]+ 340.223093 186.7
[M+K]+ 361.152428 179.7
[M+H-H2O]+ 305.186530 166.3
[M+HCOO]- 367.187471 194.4
[M+CH3COO]- 381.203121 212.6
[M+Na-2H]- 343.163936 175.0
[M]+ 322.18872142 170.8
[M]- 322.18981858 170.8
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.