CID 40373

52401-02-2

Structural Information

Molecular Formula
C17H19NO2
SMILES
CN(C)CCC1(OC2=CC=CC=C2O1)C3=CC=CC=C3
InChI
InChI=1S/C17H19NO2/c1-18(2)13-12-17(14-8-4-3-5-9-14)19-15-10-6-7-11-16(15)20-17/h3-11H,12-13H2,1-2H3
InChIKey
FTWHMVPNRPOZFN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-phenyl-1,3-benzodioxol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 162.9
[M+Na]+ 292.13079 170.0
[M-H]- 268.13429 173.0
[M+NH4]+ 287.17539 181.6
[M+K]+ 308.10473 169.6
[M+H-H2O]+ 252.13883 155.8
[M+HCOO]- 314.13977 185.5
[M+CH3COO]- 328.15542 175.9
[M+Na-2H]- 290.11624 170.1
[M]+ 269.14102 166.4
[M]- 269.14212 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

patents stripe