CID 3067011

80761-12-2

Structural Information

Molecular Formula
C22H34N2O
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)CCCCN4CCN(CC4)CCO
InChI
InChI=1S/C22H34N2O/c25-16-15-24-13-11-23(12-14-24)10-2-1-7-22-20-8-3-5-18(20)17-19-6-4-9-21(19)22/h17,25H,1-16H2
InChIKey
DQUCHUWRRKJLED-UHFFFAOYSA-N
Compound name
2-[4-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)butyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.26712 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.27440 188.8
[M+Na]+ 365.25634 191.3
[M-H]- 341.25984 191.1
[M+NH4]+ 360.30094 204.0
[M+K]+ 381.23028 184.9
[M+H-H2O]+ 325.26438 179.6
[M+HCOO]- 387.26532 200.2
[M+CH3COO]- 401.28097 196.0
[M+Na-2H]- 363.24179 184.7
[M]+ 342.26657 184.1
[M]- 342.26767 184.1
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.