CID 93385

Urea, n-methoxy-n-methyl-n'-(4-(2-(4-methylphenyl)ethoxy)phenyl)-

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

116
Patents

314.16306 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.170336 175.3
[M+Na]+ 337.152278 180.2
[M-H]- 313.155784 183.1
[M+NH4]+ 332.196883 189.7
[M+K]+ 353.126218 178.5
[M+H-H2O]+ 297.160320 166.1
[M+HCOO]- 359.161261 200.7
[M+CH3COO]- 373.176911 214.5
[M+Na-2H]- 335.137726 178.6
[M]+ 314.16251142 179.1
[M]- 314.16360858 179.1
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