CID 13370199

Piperazine, 1-(2-methoxyphenyl)-4-((5-methyl-1,4-dioxaspiro(5.5)undec-3-yl)methyl)-, (e)-2-butenedioate

Structural Information

Molecular Formula
C22H34N2O3
SMILES
CC1C2(CCCCC2)OCC(O1)CN3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C22H34N2O3/c1-18-22(10-6-3-7-11-22)26-17-19(27-18)16-23-12-14-24(15-13-23)20-8-4-5-9-21(20)25-2/h4-5,8-9,18-19H,3,6-7,10-17H2,1-2H3
InChIKey
OYKDIFSLFRVNMQ-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.25696 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.264236 196.2
[M+Na]+ 397.246178 197.1
[M-H]- 373.249684 203.5
[M+NH4]+ 392.290783 203.7
[M+K]+ 413.220118 195.5
[M+H-H2O]+ 357.254220 183.5
[M+HCOO]- 419.255161 203.2
[M+CH3COO]- 433.270811 202.3
[M+Na-2H]- 395.231626 195.6
[M]+ 374.25641142 188.2
[M]- 374.25750858 188.2
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.