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]+ 281.18596 168.4
[M+Na]+ 303.16790 172.5
[M-H]- 279.17140 172.6
[M+NH4]+ 298.21250 184.4
[M+K]+ 319.14184 172.0
[M+H-H2O]+ 263.17594 160.3
[M+HCOO]- 325.17688 193.4
[M+CH3COO]- 339.19253 208.6
[M+Na-2H]- 301.15335 171.2
[M]+ 280.17813 173.4
[M]- 280.17923 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.