PubChemLite - Kazinol h (C30H36O4)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2C=CC(OC2=C(C=C1[C@@H]3CCC4=CC(=C(C=C4O3)O)C(C)(C)C=C)O)(C)C)C

InChI

InChI=1S/C30H36O4/c1-8-29(4,5)23-15-19-10-12-26(33-27(19)17-24(23)31)22-16-25(32)28-21(13-14-30(6,7)34-28)20(22)11-9-18(2)3/h8-9,13-17,26,31-32H,1,10-12H2,2-7H3/t26-/m0/s1

InChIKey

QRZIJQZCIHKOHL-SANMLTNESA-N

Compound name

6-[(2S)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-8-ol

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]+	461.26863	218.4
[M+Na]+	483.25057	224.5
[M-H]-	459.25407	224.7
[M+NH4]+	478.29517	227.3
[M+K]+	499.22451	220.6
[M+H-H2O]+	443.25861	209.8
[M+HCOO]-	505.25955	225.5
[M+CH3COO]-	519.27520	238.0
[M+Na-2H]-	481.23602	217.9
[M]+	460.26080	219.8
[M]-	460.26190	219.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.26863

218.4

[M+Na]+

483.25057

224.5

[M-H]-

459.25407

224.7

[M+NH4]+

478.29517

227.3

[M+K]+

499.22451

220.6

[M+H-H2O]+

443.25861

209.8

[M+HCOO]-

505.25955

225.5

[M+CH3COO]-

519.27520

238.0

[M+Na-2H]-

481.23602

217.9

[M]+

460.26080

219.8

[M]-

460.26190

219.8

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

Kazinol h

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe