CID 3051903

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

Structural Information

Molecular Formula
C15H25N3O4
SMILES
CN(C)CCCNC(=O)NC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C15H25N3O4/c1-18(2)8-6-7-16-15(19)17-11-9-12(20-3)14(22-5)13(10-11)21-4/h9-10H,6-8H2,1-5H3,(H2,16,17,19)
InChIKey
UWTSKTYGHXHPDV-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1845 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19178 174.2
[M+Na]+ 334.17372 179.0
[M-H]- 310.17722 179.1
[M+NH4]+ 329.21832 189.0
[M+K]+ 350.14766 179.4
[M+H-H2O]+ 294.18176 165.8
[M+HCOO]- 356.18270 200.3
[M+CH3COO]- 370.19835 218.5
[M+Na-2H]- 332.15917 176.1
[M]+ 311.18395 180.5
[M]- 311.18505 180.5
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.