CID 27480

N,n-diethyl-1,3-benzodioxole-5-carboxamide

Structural Information

Molecular Formula
C12H15NO3
SMILES
CCN(CC)C(=O)C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C12H15NO3/c1-3-13(4-2)12(14)9-5-6-10-11(7-9)16-8-15-10/h5-7H,3-4,8H2,1-2H3
InChIKey
NZQNJNITDVCQRM-UHFFFAOYSA-N
Compound name
N,N-diethyl-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

221.1052 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 148.7
[M+Na]+ 244.09442 159.5
[M+NH4]+ 239.13902 156.8
[M+K]+ 260.06836 156.6
[M-H]- 220.09792 153.3
[M+Na-2H]- 242.07987 152.3
[M]+ 221.10465 151.4
[M]- 221.10575 151.4
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

patents stripe