CID 50412

Brn 1822865

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCCCOC1=CC=C(C=C1)CNNC(=O)OCC
InChI
InChI=1S/C14H22N2O3/c1-3-5-10-19-13-8-6-12(7-9-13)11-15-16-14(17)18-4-2/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17)
InChIKey
WQYJZIAJVVJGRD-UHFFFAOYSA-N
Compound name
ethyl N-[(4-butoxyphenyl)methylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16306 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 163.1
[M+Na]+ 289.15228 167.4
[M-H]- 265.15578 166.0
[M+NH4]+ 284.19688 179.0
[M+K]+ 305.12622 165.8
[M+H-H2O]+ 249.16032 155.3
[M+HCOO]- 311.16126 187.9
[M+CH3COO]- 325.17691 202.2
[M+Na-2H]- 287.13773 167.3
[M]+ 266.16251 166.4
[M]- 266.16361 166.4
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.