PubChemLite - N37-10-20c (C37H41FN4O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)CCN(CC(=O)N(CCC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N)C(=O)CNCCC4=CC=C(C=C4)F

InChI

InChI=1S/C37H41FN4O3/c38-33-18-16-30(17-19-33)20-23-40-26-36(44)42(24-21-29-10-4-1-5-11-29)28-37(45)41(27-35(39)43)25-22-34(31-12-6-2-7-13-31)32-14-8-3-9-15-32/h1-19,34,40H,20-28H2,(H2,39,43)

InChIKey

CNPPKCUEVQSCHS-UHFFFAOYSA-N

Compound name

N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-2-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)acetamide

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]+	609.32358	251.4
[M+Na]+	631.30552	246.6
[M-H]-	607.30902	260.8
[M+NH4]+	626.35012	250.4
[M+K]+	647.27946	242.6
[M+H-H2O]+	591.31356	235.9
[M+HCOO]-	653.31450	270.0
[M+CH3COO]-	667.33015	276.1
[M+Na-2H]-	629.29097	246.8
[M]+	608.31575	250.0
[M]-	608.31685	250.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.32358

251.4

[M+Na]+

631.30552

246.6

[M-H]-

607.30902

260.8

[M+NH4]+

626.35012

250.4

[M+K]+

647.27946

242.6

[M+H-H2O]+

591.31356

235.9

[M+HCOO]-

653.31450

270.0

[M+CH3COO]-

667.33015

276.1

[M+Na-2H]-

629.29097

246.8

[M]+

608.31575

250.0

[M]-

608.31685

250.0

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

N37-10-20c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe