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 184.7
[M+Na]+ 357.21487 189.1
[M-H]- 333.21837 191.6
[M+NH4]+ 352.25947 194.6
[M+K]+ 373.18881 188.3
[M+H-H2O]+ 317.22291 174.1
[M+HCOO]- 379.22385 196.0
[M+CH3COO]- 393.23950 211.1
[M+Na-2H]- 355.20032 185.7
[M]+ 334.22510 182.6
[M]- 334.22620 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.