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]+ 267.170336 163.1
[M+Na]+ 289.152278 167.4
[M-H]- 265.155784 166.0
[M+NH4]+ 284.196883 179.0
[M+K]+ 305.126218 165.8
[M+H-H2O]+ 249.160320 155.3
[M+HCOO]- 311.161261 187.9
[M+CH3COO]- 325.176911 202.2
[M+Na-2H]- 287.137726 167.3
[M]+ 266.16251142 166.4
[M]- 266.16360858 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.