CID 3578872

1,1-diethyl-3-(2-methoxyphenyl)urea

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCN(CC)C(=O)NC1=CC=CC=C1OC
InChI
InChI=1S/C12H18N2O2/c1-4-14(5-2)12(15)13-10-8-6-7-9-11(10)16-3/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKey
RJMQNNGVHBGTDA-UHFFFAOYSA-N
Compound name
1,1-diethyl-3-(2-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 151.7
[M+Na]+ 245.126048 157.3
[M-H]- 221.129554 156.6
[M+NH4]+ 240.170653 170.2
[M+K]+ 261.099988 156.9
[M+H-H2O]+ 205.134090 144.5
[M+HCOO]- 267.135031 177.5
[M+CH3COO]- 281.150681 197.5
[M+Na-2H]- 243.111496 156.1
[M]+ 222.13628142 154.2
[M]- 222.13737858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.