CID 120599

Fc 631

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CN2CCN(CC2)C
InChI
InChI=1S/C19H30N2O2/c1-14(2)16-7-6-8-17(15(3)4)19(16)23-18(22)13-21-11-9-20(5)10-12-21/h6-8,14-15H,9-13H2,1-5H3
InChIKey
XPNZUOJRFZJQLT-UHFFFAOYSA-N
Compound name
[2,6-di(propan-2-yl)phenyl] 2-(4-methylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 180.1
[M+Na]+ 341.21996 183.7
[M-H]- 317.22346 182.9
[M+NH4]+ 336.26456 191.7
[M+K]+ 357.19390 181.0
[M+H-H2O]+ 301.22800 170.8
[M+HCOO]- 363.22894 193.4
[M+CH3COO]- 377.24459 212.0
[M+Na-2H]- 339.20541 177.1
[M]+ 318.23019 179.2
[M]- 318.23129 179.2
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.