CID 3067673

Brn 4567899

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCC4=CC=CC=C4O3
InChI
InChI=1S/C21H24N2O2/c1-16-6-2-4-8-18(16)22-12-14-23(15-13-22)21(24)20-11-10-17-7-3-5-9-19(17)25-20/h2-9,20H,10-15H2,1H3
InChIKey
GVUQPBAACABKDY-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-2-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 182.9
[M+Na]+ 359.17300 197.5
[M+NH4]+ 354.21760 191.2
[M+K]+ 375.14694 189.3
[M-H]- 335.17650 190.2
[M+Na-2H]- 357.15845 190.2
[M]+ 336.18323 187.1
[M]- 336.18433 187.1
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.