PubChemLite - Folinin (C25H26O4)

Structural Information

Molecular Formula

SMILES

CC1(CCC2=CC3=C(C=C2O1)OCC4C3OC5=C4C=CC6=C5C=CC(O6)(C)C)C

InChI

InChI=1S/C25H26O4/c1-24(2)9-7-14-11-17-21(12-20(14)29-24)26-13-18-15-5-6-19-16(22(15)27-23(17)18)8-10-25(3,4)28-19/h5-6,8,10-12,18,23H,7,9,13H2,1-4H3

InChIKey

GIJCKIAEOVPFOW-UHFFFAOYSA-N

Compound name

7,7,20,20-tetramethyl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,9,15(24),16,18(23),21-heptaene

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]+	391.19038	191.7
[M+Na]+	413.17232	201.4
[M-H]-	389.17582	201.5
[M+NH4]+	408.21692	208.3
[M+K]+	429.14626	200.0
[M+H-H2O]+	373.18036	182.3
[M+HCOO]-	435.18130	199.0
[M+CH3COO]-	449.19695	201.7
[M+Na-2H]-	411.15777	196.3
[M]+	390.18255	194.5
[M]-	390.18365	194.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

391.19038

191.7

[M+Na]+

413.17232

201.4

[M-H]-

389.17582

201.5

[M+NH4]+

408.21692

208.3

[M+K]+

429.14626

200.0

[M+H-H2O]+

373.18036

182.3

[M+HCOO]-

435.18130

199.0

[M+CH3COO]-

449.19695

201.7

[M+Na-2H]-

411.15777

196.3

[M]+

390.18255

194.5

[M]-

390.18365

194.5

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

Folinin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe