CID 3051904

Urea, n-(3-(dimethylamino)propyl)-n-methyl-n'-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C16H27N3O4
SMILES
CN(C)CCCN(C)C(=O)NC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C16H27N3O4/c1-18(2)8-7-9-19(3)16(20)17-12-10-13(21-4)15(23-6)14(11-12)22-5/h10-11H,7-9H2,1-6H3,(H,17,20)
InChIKey
ZBQSREYPFSKAPP-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-1-methyl-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.20016 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.20744 179.2
[M+Na]+ 348.18938 183.8
[M-H]- 324.19288 185.4
[M+NH4]+ 343.23398 194.1
[M+K]+ 364.16332 185.4
[M+H-H2O]+ 308.19742 170.5
[M+HCOO]- 370.19836 205.4
[M+CH3COO]- 384.21401 224.8
[M+Na-2H]- 346.17483 179.8
[M]+ 325.19961 187.2
[M]- 325.20071 187.2
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.