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

14
Patents

312.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.191056 177.0
[M+Na]+ 335.172998 181.2
[M-H]- 311.176504 186.0
[M+NH4]+ 330.217603 189.6
[M+K]+ 351.146938 180.2
[M+H-H2O]+ 295.181040 167.5
[M+HCOO]- 357.181981 197.5
[M+CH3COO]- 371.197631 215.2
[M+Na-2H]- 333.158446 183.3
[M]+ 312.18323142 178.2
[M]- 312.18432858 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