CID 13370210

97306-36-0

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CC1C(OCC(O1)CN2CCN(CC2)C3=CC=CC=C3OC)(C)C
InChI
InChI=1S/C19H30N2O3/c1-15-19(2,3)23-14-16(24-15)13-20-9-11-21(12-10-20)17-7-5-6-8-18(17)22-4/h5-8,15-16H,9-14H2,1-4H3
InChIKey
KRRGVBIJPDAGCS-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-[(5,5,6-trimethyl-1,4-dioxan-2-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 183.7
[M+Na]+ 357.21487 196.5
[M+NH4]+ 352.25947 192.1
[M+K]+ 373.18881 188.1
[M-H]- 333.21837 191.0
[M+Na-2H]- 355.20032 190.0
[M]+ 334.22510 187.8
[M]- 334.22620 187.8
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.