CID 132787

146998-34-7

Structural Information

Molecular Formula
C21H24N2O2
SMILES
C1CN(CCN1C2CC3=CC=CC=C3C2)C4=C5C(=CC=C4)OCCO5
InChI
InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2
InChIKey
QJPPEMXOOWNICQ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

44
References

86
Patents

336.18378 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 179.3
[M+Na]+ 359.17300 183.6
[M-H]- 335.17650 187.4
[M+NH4]+ 354.21760 190.1
[M+K]+ 375.14694 180.0
[M+H-H2O]+ 319.18104 168.4
[M+HCOO]- 381.18198 189.9
[M+CH3COO]- 395.19763 187.8
[M+Na-2H]- 357.15845 180.8
[M]+ 336.18323 173.6
[M]- 336.18433 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe