CID 60222

108132-36-1

Structural Information

Molecular Formula
C18H21NO
SMILES
CN(CCC1=CC=CC=C1)C2=CC3=C(C=C2)OCCC3
InChI
InChI=1S/C18H21NO/c1-19(12-11-15-6-3-2-4-7-15)17-9-10-18-16(14-17)8-5-13-20-18/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3
InChIKey
GHZVQKJIMOYPOZ-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-phenylethyl)-3,4-dihydro-2H-chromen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 162.9
[M+Na]+ 290.15154 167.4
[M-H]- 266.15504 171.3
[M+NH4]+ 285.19614 178.8
[M+K]+ 306.12548 165.1
[M+H-H2O]+ 250.15958 154.1
[M+HCOO]- 312.16052 183.6
[M+CH3COO]- 326.17617 174.3
[M+Na-2H]- 288.13699 169.5
[M]+ 267.16177 162.0
[M]- 267.16287 162.0
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.