CID 39825

50836-28-7

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCN(CC)CCNC(=O)CCC1(OC2=CC=CC=C2O1)C
InChI
InChI=1S/C17H26N2O3/c1-4-19(5-2)13-12-18-16(20)10-11-17(3)21-14-8-6-7-9-15(14)22-17/h6-9H,4-5,10-13H2,1-3H3,(H,18,20)
InChIKey
UXWHRMXLWAPSPS-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-3-(2-methyl-1,3-benzodioxol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.19434 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 176.6
[M+Na]+ 329.18356 181.2
[M-H]- 305.18706 182.8
[M+NH4]+ 324.22816 193.6
[M+K]+ 345.15750 181.7
[M+H-H2O]+ 289.19160 170.0
[M+HCOO]- 351.19254 198.0
[M+CH3COO]- 365.20819 212.7
[M+Na-2H]- 327.16901 181.2
[M]+ 306.19379 181.9
[M]- 306.19489 181.9
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

patents stripe