PubChemLite - 194934-96-8 (C28H34FNO4)

Structural Information

Molecular Formula

SMILES

CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C28H34FNO4/c1-18(2)30-24-9-7-6-8-23(24)27(19-10-12-20(29)13-11-19)25(30)15-14-21(31)16-22(32)17-26(33)34-28(3,4)5/h6-15,18,21-22,31-32H,16-17H2,1-5H3/b15-14+/t21-,22-/m1/s1

InChIKey

USGKHYXJISAYPE-UQECUQMJSA-N

Compound name

tert-butyl (E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	468.25448	217.3
[M+Na]+	490.23642	226.4
[M+NH4]+	485.28102	220.6
[M+K]+	506.21036	223.4
[M-H]-	466.23992	216.2
[M+Na-2H]-	488.22187	218.9
[M]+	467.24665	218.0
[M]-	467.24775	218.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.25448

217.3

[M+Na]+

490.23642

226.4

[M+NH4]+

485.28102

220.6

[M+K]+

506.21036

223.4

[M-H]-

466.23992

216.2

[M+Na-2H]-

488.22187

218.9

[M]+

467.24665

218.0

[M]-

467.24775

218.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

194934-96-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe