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]+ 314.17508 174.0
[M+Na]+ 336.15702 179.5
[M-H]- 312.16052 181.5
[M+NH4]+ 331.20162 187.9
[M+K]+ 352.13096 177.0
[M+H-H2O]+ 296.16506 165.1
[M+HCOO]- 358.16600 194.2
[M+CH3COO]- 372.18165 210.0
[M+Na-2H]- 334.14247 179.6
[M]+ 313.16725 176.0
[M]- 313.16835 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.