CID 93385

68358-79-2

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CC1=CC=C(C=C1)CCOC2=CC=C(C=C2)NC(=O)N(C)OC
InChI
InChI=1S/C18H22N2O3/c1-14-4-6-15(7-5-14)12-13-23-17-10-8-16(9-11-17)19-18(21)20(2)22-3/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKey
XZNOYUSOBQSRNI-UHFFFAOYSA-N
Compound name
1-methoxy-1-methyl-3-[4-[2-(4-methylphenyl)ethoxy]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

314.16306 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 175.8
[M+Na]+ 337.15228 187.5
[M+NH4]+ 332.19688 182.8
[M+K]+ 353.12622 180.8
[M-H]- 313.15578 180.7
[M+Na-2H]- 335.13773 183.7
[M]+ 314.16251 178.7
[M]- 314.16361 178.7
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