CID 51536

72050-76-1

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CN1CCN(CC1)CCOC(=O)CC2C=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c1-17-8-10-18(11-9-17)12-13-20-16(19)14-15-6-4-2-3-5-7-15/h2-7,15H,8-14H2,1H3
InChIKey
JMSPKPSFCKIIIM-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethyl 2-cyclohepta-2,4,6-trien-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 166.1
[M+Na]+ 299.17300 175.3
[M+NH4]+ 294.21760 172.1
[M+K]+ 315.14694 170.2
[M-H]- 275.17650 167.9
[M+Na-2H]- 297.15845 171.6
[M]+ 276.18323 167.7
[M]- 276.18433 167.7
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.