PubChemLite - Munchiwarin (C30H36O4)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C/C(=C(\C=C\C2=CC=C(C=C2)O)/O)/C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C)C

InChI

InChI=1S/C30H36O4/c1-20(2)7-11-24-19-26(27(32)14-10-23-8-12-25(31)13-9-23)29(34)30(28(24)33,17-15-21(3)4)18-16-22(5)6/h7-10,12-16,19,31-32H,11,17-18H2,1-6H3/b14-10+,27-26-

InChIKey

HBTGYTAWTFVIRO-QKOOUZAASA-N

Compound name

(6Z)-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,2,4-tris(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione

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	212.3
[M+Na]+	483.25057	215.6
[M-H]-	459.25407	214.8
[M+NH4]+	478.29517	221.7
[M+K]+	499.22451	208.3
[M+H-H2O]+	443.25861	205.8
[M+HCOO]-	505.25955	223.6
[M+CH3COO]-	519.27520	234.5
[M+Na-2H]-	481.23602	203.2
[M]+	460.26080	211.0
[M]-	460.26190	211.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.26863

212.3

[M+Na]+

483.25057

215.6

[M-H]-

459.25407

214.8

[M+NH4]+

478.29517

221.7

[M+K]+

499.22451

208.3

[M+H-H2O]+

443.25861

205.8

[M+HCOO]-

505.25955

223.6

[M+CH3COO]-

519.27520

234.5

[M+Na-2H]-

481.23602

203.2

[M]+

460.26080

211.0

[M]-

460.26190

211.0

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

Munchiwarin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe