CID 50049

68097-54-1

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCCCOC1=CC=CC=C1NC(=O)OCCN(C)C
InChI
InChI=1S/C15H24N2O3/c1-4-5-11-19-14-9-7-6-8-13(14)16-15(18)20-12-10-17(2)3/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKey
DWJSZENNTUCZTR-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(2-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.17868 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.185956 168.4
[M+Na]+ 303.167898 172.5
[M-H]- 279.171404 172.6
[M+NH4]+ 298.212503 184.4
[M+K]+ 319.141838 172.0
[M+H-H2O]+ 263.175940 160.3
[M+HCOO]- 325.176881 193.4
[M+CH3COO]- 339.192531 208.6
[M+Na-2H]- 301.153346 171.2
[M]+ 280.17813142 173.4
[M]- 280.17922858 173.4
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

No patent data available for this compound.