CID 210724

Brn 0578571

Structural Information

Molecular Formula
C22H27ClN2O2
SMILES
CC1(C(C2=CC=CC=C2C1O)O)CCN3CCN(CC3)C4=CC=CC=C4Cl
InChI
InChI=1S/C22H27ClN2O2/c1-22(20(26)16-6-2-3-7-17(16)21(22)27)10-11-24-12-14-25(15-13-24)19-9-5-4-8-18(19)23/h2-9,20-21,26-27H,10-15H2,1H3
InChIKey
GZMRFIPOYKDXJL-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.17612 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18340 194.8
[M+Na]+ 409.16534 201.7
[M-H]- 385.16884 199.5
[M+NH4]+ 404.20994 207.9
[M+K]+ 425.13928 193.6
[M+H-H2O]+ 369.17338 185.4
[M+HCOO]- 431.17432 202.6
[M+CH3COO]- 445.18997 202.7
[M+Na-2H]- 407.15079 193.1
[M]+ 386.17557 192.5
[M]- 386.17667 192.5
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.