PubChemLite - Fk-143 (C40H44N2O3)

Structural Information

Molecular Formula

SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)NC3=CC=CC(=C3)C(=O)C4=CN(C5=CC=CC=C54)CCCC(=O)O

InChI

InChI=1S/C40H44N2O3/c1-27(2)23-29-14-18-31(19-15-29)39(32-20-16-30(17-21-32)24-28(3)4)41-34-10-7-9-33(25-34)40(45)36-26-42(22-8-13-38(43)44)37-12-6-5-11-35(36)37/h5-7,9-12,14-21,25-28,39,41H,8,13,22-24H2,1-4H3,(H,43,44)

InChIKey

LACIBZRFAYFTOV-UHFFFAOYSA-N

Compound name

4-[3-[3-[bis[4-(2-methylpropyl)phenyl]methylamino]benzoyl]indol-1-yl]butanoic 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]+	601.34248	254.0
[M+Na]+	623.32442	254.1
[M-H]-	599.32792	263.4
[M+NH4]+	618.36902	255.2
[M+K]+	639.29836	247.2
[M+H-H2O]+	583.33246	241.3
[M+HCOO]-	645.33340	267.0
[M+CH3COO]-	659.34905	266.7
[M+Na-2H]-	621.30987	245.6
[M]+	600.33465	256.5
[M]-	600.33575	256.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

601.34248

254.0

[M+Na]+

623.32442

254.1

[M-H]-

599.32792

263.4

[M+NH4]+

618.36902

255.2

[M+K]+

639.29836

247.2

[M+H-H2O]+

583.33246

241.3

[M+HCOO]-

645.33340

267.0

[M+CH3COO]-

659.34905

266.7

[M+Na-2H]-

621.30987

245.6

[M]+

600.33465

256.5

[M]-

600.33575

256.5

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

Fk-143

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe