PubChemLite - Afk-110 (C26H34Cl2N2O)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC/C(=C/COC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl)/C)/C)C

InChI

InChI=1S/C26H34Cl2N2O/c1-20(2)7-5-8-21(3)9-6-10-22(4)13-16-31-26(18-30-15-14-29-19-30)24-12-11-23(27)17-25(24)28/h7,9,11-15,17,19,26H,5-6,8,10,16,18H2,1-4H3/b21-9+,22-13+

InChIKey

RFKZUBXIWREGPU-PLIWVGOGSA-N

Compound name

1-[2-(2,4-dichlorophenyl)-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethyl]imidazole

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]+	461.21211	216.3
[M+Na]+	483.19405	220.5
[M-H]-	459.19755	218.1
[M+NH4]+	478.23865	225.3
[M+K]+	499.16799	211.3
[M+H-H2O]+	443.20209	206.9
[M+HCOO]-	505.20303	222.0
[M+CH3COO]-	519.21868	233.0
[M+Na-2H]-	481.17950	208.3
[M]+	460.20428	222.1
[M]-	460.20538	222.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.21211

216.3

[M+Na]+

483.19405

220.5

[M-H]-

459.19755

218.1

[M+NH4]+

478.23865

225.3

[M+K]+

499.16799

211.3

[M+H-H2O]+

443.20209

206.9

[M+HCOO]-

505.20303

222.0

[M+CH3COO]-

519.21868

233.0

[M+Na-2H]-

481.17950

208.3

[M]+

460.20428

222.1

[M]-

460.20538

222.1

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

Afk-110

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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