CID 24467212

1014247-57-4

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CN(C)CC1=CC=C(C=C1)CNCC2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C19H24N2O2/c1-21(2)14-16-5-3-15(4-6-16)12-20-13-17-7-8-18-19(11-17)23-10-9-22-18/h3-8,11,20H,9-10,12-14H2,1-2H3
InChIKey
CJFMAKVGBIJHEI-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[4-[(dimethylamino)methyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

312.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 177.0
[M+Na]+ 335.17300 181.2
[M-H]- 311.17650 186.0
[M+NH4]+ 330.21760 189.6
[M+K]+ 351.14694 180.2
[M+H-H2O]+ 295.18104 167.5
[M+HCOO]- 357.18198 197.5
[M+CH3COO]- 371.19763 215.2
[M+Na-2H]- 333.15845 183.3
[M]+ 312.18323 178.2
[M]- 312.18433 178.2
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