CID 3059256

1-ethyl-3-methyl-5-(3,4,5-trimethoxyphenyl)biuret

Structural Information

Molecular Formula
C14H21N3O5
SMILES
CCN(C(=O)N)C(=O)NC1=CC(=C(C(=C1C)OC)OC)OC
InChI
InChI=1S/C14H21N3O5/c1-6-17(13(15)18)14(19)16-9-7-10(20-3)12(22-5)11(21-4)8(9)2/h7H,6H2,1-5H3,(H2,15,18)(H,16,19)
InChIKey
MLRQBYXAPUEZLX-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-ethyl-3-(3,4,5-trimethoxy-2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.14813 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.155406 171.6
[M+Na]+ 334.137348 177.8
[M-H]- 310.140854 176.7
[M+NH4]+ 329.181953 186.3
[M+K]+ 350.111288 178.8
[M+H-H2O]+ 294.145390 163.7
[M+HCOO]- 356.146331 196.8
[M+CH3COO]- 370.161981 218.1
[M+Na-2H]- 332.122796 171.2
[M]+ 311.14758142 177.0
[M]- 311.14867858 177.0
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

patents stripe