CID 3068796

Brn 4567586

Structural Information

Molecular Formula
C21H24N2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC3=CC4=CC=CC=C4OC3
InChI
InChI=1S/C21H24N2O2/c1-24-21-9-5-3-7-19(21)23-12-10-22(11-13-23)15-17-14-18-6-2-4-8-20(18)25-16-17/h2-9,14H,10-13,15-16H2,1H3
InChIKey
UKKUMDZJZUFUNB-UHFFFAOYSA-N
Compound name
1-(2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 182.6
[M+Na]+ 359.17300 187.3
[M-H]- 335.17650 189.5
[M+NH4]+ 354.21760 192.1
[M+K]+ 375.14694 182.9
[M+H-H2O]+ 319.18104 170.5
[M+HCOO]- 381.18198 196.4
[M+CH3COO]- 395.19763 191.2
[M+Na-2H]- 357.15845 186.3
[M]+ 336.18323 179.5
[M]- 336.18433 179.5
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.