CID 71300832

Mg 28233

Structural Information

Molecular Formula
C26H29N3O4
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)C(=O)C4=CN=CC=C4
InChI
InChI=1S/C26H29N3O4/c1-19(20-5-6-22-17-24(32-2)8-7-21(22)16-20)26(31)33-15-14-28-10-12-29(13-11-28)25(30)23-4-3-9-27-18-23/h3-9,16-19H,10-15H2,1-2H3/t19-/m0/s1
InChIKey
AYGBSNISQJLTMV-IBGZPJMESA-N
Compound name
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.21582 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.22310 209.9
[M+Na]+ 470.20504 212.1
[M-H]- 446.20854 214.4
[M+NH4]+ 465.24964 214.0
[M+K]+ 486.17898 207.4
[M+H-H2O]+ 430.21308 196.5
[M+HCOO]- 492.21402 220.4
[M+CH3COO]- 506.22967 231.9
[M+Na-2H]- 468.19049 208.9
[M]+ 447.21527 209.2
[M]- 447.21637 209.2
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.