CID 71300846

Mg 28250

Structural Information

Molecular Formula
C27H33N3O3
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)CC4=CC=C(C=C4)N
InChI
InChI=1S/C27H33N3O3/c1-20(22-5-6-24-18-26(32-2)10-7-23(24)17-22)27(31)33-16-15-29-11-13-30(14-12-29)19-21-3-8-25(28)9-4-21/h3-10,17-18,20H,11-16,19,28H2,1-2H3/t20-/m0/s1
InChIKey
ZRPNHOLGJRMKFB-FQEVSTJZSA-N
Compound name
2-[4-[(4-aminophenyl)methyl]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

447.2522 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.25948 213.0
[M+Na]+ 470.24142 225.6
[M+NH4]+ 465.28602 219.0
[M+K]+ 486.21536 217.6
[M-H]- 446.24492 218.6
[M+Na-2H]- 468.22687 219.3
[M]+ 447.25165 216.2
[M]- 447.25275 216.2
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.