CID 55193

Brn 4534302

Structural Information

Molecular Formula
C19H23NO3
SMILES
COC1=C(C=C(C=C1)CCNC2CC3=CC=CC=C3OC2)OC
InChI
InChI=1S/C19H23NO3/c1-21-18-8-7-14(11-19(18)22-2)9-10-20-16-12-15-5-3-4-6-17(15)23-13-16/h3-8,11,16,20H,9-10,12-13H2,1-2H3
InChIKey
JQLVSZDRHMFIHK-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 174.0
[M+Na]+ 336.157018 179.5
[M-H]- 312.160524 181.5
[M+NH4]+ 331.201623 187.9
[M+K]+ 352.130958 177.0
[M+H-H2O]+ 296.165060 165.1
[M+HCOO]- 358.166001 194.2
[M+CH3COO]- 372.181651 210.0
[M+Na-2H]- 334.142466 179.6
[M]+ 313.16725142 176.0
[M]- 313.16834858 176.0
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

No patent data available for this compound.