CID 174764

Fk 448

Structural Information

Molecular Formula
C25H30N2O3
SMILES
CC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3CCCC4=CC=CC=C34
InChI
InChI=1S/C25H30N2O3/c1-18(2)26-14-16-27(17-15-26)24(28)20-10-12-21(13-11-20)30-25(29)23-9-5-7-19-6-3-4-8-22(19)23/h3-4,6,8,10-13,18,23H,5,7,9,14-17H2,1-2H3
InChIKey
BPNWUGVANKCJDV-UHFFFAOYSA-N
Compound name
[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

95
Patents

406.22565 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.23293 200.5
[M+Na]+ 429.21487 201.6
[M-H]- 405.21837 205.8
[M+NH4]+ 424.25947 207.8
[M+K]+ 445.18881 196.9
[M+H-H2O]+ 389.22291 188.5
[M+HCOO]- 451.22385 209.8
[M+CH3COO]- 465.23950 225.1
[M+Na-2H]- 427.20032 197.7
[M]+ 406.22510 194.9
[M]- 406.22620 194.9
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

patents stripe