CID 2784856

1,1-diethyl-3-(4-methoxyphenyl)urea

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCN(CC)C(=O)NC1=CC=C(C=C1)OC
InChI
InChI=1S/C12H18N2O2/c1-4-14(5-2)12(15)13-10-6-8-11(16-3)9-7-10/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKey
CBMMXDCCAANWCD-UHFFFAOYSA-N
Compound name
1,1-diethyl-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

222.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.7
[M+Na]+ 245.12605 157.3
[M-H]- 221.12955 156.6
[M+NH4]+ 240.17065 170.2
[M+K]+ 261.09999 156.9
[M+H-H2O]+ 205.13409 144.5
[M+HCOO]- 267.13503 177.5
[M+CH3COO]- 281.15068 197.5
[M+Na-2H]- 243.11150 156.1
[M]+ 222.13628 154.2
[M]- 222.13738 154.2
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