CID 4678058

1-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)urea

Structural Information

Molecular Formula
C16H18N2O4
SMILES
COC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C16H18N2O4/c1-20-12-6-4-11(5-7-12)17-16(19)18-14-10-13(21-2)8-9-15(14)22-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKey
WEOSRKCLXUASAM-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

302.12665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.133926 168.5
[M+Na]+ 325.115868 174.9
[M-H]- 301.119374 175.6
[M+NH4]+ 320.160473 183.0
[M+K]+ 341.089808 173.1
[M+H-H2O]+ 285.123910 159.8
[M+HCOO]- 347.124851 194.3
[M+CH3COO]- 361.140501 208.7
[M+Na-2H]- 323.101316 173.0
[M]+ 302.12610142 172.2
[M]- 302.12719858 172.2
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

patents stripe