CID 134562533

Arv-471

Structural Information

Molecular Formula
C45H49N5O4
SMILES
C1CC2=C(C=CC(=C2)O)[C@H]([C@H]1C3=CC=CC=C3)C4=CC=C(C=C4)N5CCC(CC5)CN6CCN(CC6)C7=CC8=C(C=C7)C(=O)N(C8)[C@H]9CCC(=O)NC9=O
InChI
InChI=1S/C45H49N5O4/c51-37-12-15-39-33(27-37)8-13-38(31-4-2-1-3-5-31)43(39)32-6-9-35(10-7-32)48-20-18-30(19-21-48)28-47-22-24-49(25-23-47)36-11-14-40-34(26-36)29-50(45(40)54)41-16-17-42(52)46-44(41)53/h1-7,9-12,14-15,26-27,30,38,41,43,51H,8,13,16-25,28-29H2,(H,46,52,53)/t38-,41+,43+/m1/s1
InChIKey
TZZDVPMABRWKIZ-XMOGEVODSA-N
Compound name
(3S)-3-[6-[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

155
Patents

723.3785 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 724.38578 272.5
[M+Na]+ 746.36772 268.6
[M-H]- 722.37122 281.1
[M+NH4]+ 741.41232 261.7
[M+K]+ 762.34166 258.0
[M+H-H2O]+ 706.37576 251.9
[M+HCOO]- 768.37670 265.0
[M+CH3COO]- 782.39235 268.2
[M+Na-2H]- 744.35317 257.8
[M]+ 723.37795 255.5
[M]- 723.37905 255.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe