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]+ 326.207436 179.2
[M+Na]+ 348.189378 183.8
[M-H]- 324.192884 185.4
[M+NH4]+ 343.233983 194.1
[M+K]+ 364.163318 185.4
[M+H-H2O]+ 308.197420 170.5
[M+HCOO]- 370.198361 205.4
[M+CH3COO]- 384.214011 224.8
[M+Na-2H]- 346.174826 179.8
[M]+ 325.19961142 187.2
[M]- 325.20070858 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.