PubChemLite - Am-156 (C23H24F3NO4)

Structural Information

Molecular Formula

SMILES

CCN(CC1=C(C=CC(=C1)C(F)(F)F)C2=C(C=CC(=C2)CC(=O)O)OC)C(=O)C3CC3

InChI

InChI=1S/C23H24F3NO4/c1-3-27(22(30)15-5-6-15)13-16-12-17(23(24,25)26)7-8-18(16)19-10-14(11-21(28)29)4-9-20(19)31-2/h4,7-10,12,15H,3,5-6,11,13H2,1-2H3,(H,28,29)

InChIKey

MPEHLMJOBXIHAL-UHFFFAOYSA-N

Compound name

2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid

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]+	436.17302	190.9
[M+Na]+	458.15496	197.7
[M-H]-	434.15846	196.9
[M+NH4]+	453.19956	195.6
[M+K]+	474.12890	193.0
[M+H-H2O]+	418.16300	180.1
[M+HCOO]-	480.16394	207.4
[M+CH3COO]-	494.17959	234.3
[M+Na-2H]-	456.14041	189.0
[M]+	435.16519	193.7
[M]-	435.16629	193.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.17302

190.9

[M+Na]+

458.15496

197.7

[M-H]-

434.15846

196.9

[M+NH4]+

453.19956

195.6

[M+K]+

474.12890

193.0

[M+H-H2O]+

418.16300

180.1

[M+HCOO]-

480.16394

207.4

[M+CH3COO]-

494.17959

234.3

[M+Na-2H]-

456.14041

189.0

[M]+

435.16519

193.7

[M]-

435.16629

193.7

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

Am-156

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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