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]+ 335.232926 184.7
[M+Na]+ 357.214868 189.1
[M-H]- 333.218374 191.6
[M+NH4]+ 352.259473 194.6
[M+K]+ 373.188808 188.3
[M+H-H2O]+ 317.222910 174.1
[M+HCOO]- 379.223851 196.0
[M+CH3COO]- 393.239501 211.1
[M+Na-2H]- 355.200316 185.7
[M]+ 334.22510142 182.6
[M]- 334.22619858 182.6
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.