CID 210723

21569-46-0

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CC1(C(C2=CC=CC=C2C1O)O)CCN3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C23H30N2O3/c1-23(21(26)17-7-3-4-8-18(17)22(23)27)11-12-24-13-15-25(16-14-24)19-9-5-6-10-20(19)28-2/h3-10,21-22,26-27H,11-16H2,1-2H3
InChIKey
SHTPUDPOZXQEMF-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-methoxyphenyl)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

382.22565 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.232926 195.4
[M+Na]+ 405.214868 200.8
[M-H]- 381.218374 200.1
[M+NH4]+ 400.259473 207.6
[M+K]+ 421.188808 194.7
[M+H-H2O]+ 365.222910 185.5
[M+HCOO]- 427.223851 207.6
[M+CH3COO]- 441.239501 203.1
[M+Na-2H]- 403.200316 193.9
[M]+ 382.22510142 192.6
[M]- 382.22619858 192.6
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.