CID 136951

N,n'-(di-p-methoxyphenyl)urea

Structural Information

Molecular Formula
C15H16N2O3
SMILES
COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H16N2O3/c1-19-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(20-2)10-6-12/h3-10H,1-2H3,(H2,16,17,18)
InChIKey
CPSIMDUNVYMPAH-UHFFFAOYSA-N
Compound name
1,3-bis(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

201
Patents

272.1161 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 161.0
[M+Na]+ 295.10532 167.2
[M-H]- 271.10882 167.9
[M+NH4]+ 290.14992 176.5
[M+K]+ 311.07926 164.7
[M+H-H2O]+ 255.11336 152.6
[M+HCOO]- 317.11430 187.0
[M+CH3COO]- 331.12995 202.2
[M+Na-2H]- 293.09077 166.7
[M]+ 272.11555 162.6
[M]- 272.11665 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe