CID 3040905

Crl 4001

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CC(C)(C)C1=CC2=C(C=C1)OC(CO2)CN3CCNC(C3)CCO
InChI
InChI=1S/C19H30N2O3/c1-19(2,3)14-4-5-17-18(10-14)23-13-16(24-17)12-21-8-7-20-15(11-21)6-9-22/h4-5,10,15-16,20,22H,6-9,11-13H2,1-3H3
InChIKey
LKYMQLRUSHUJSE-UHFFFAOYSA-N
Compound name
2-[4-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperazin-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 184.6
[M+Na]+ 357.21487 195.4
[M+NH4]+ 352.25947 190.9
[M+K]+ 373.18881 190.1
[M-H]- 333.21837 188.8
[M+Na-2H]- 355.20032 186.6
[M]+ 334.22510 187.3
[M]- 334.22620 187.3
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.