PubChemLite - Pranazepide (C26H19FN4O2)

Structural Information

Molecular Formula

SMILES

C1CN2C(=O)[C@H](N=C(C3=CC=CC1=C32)C4=CC=CC=C4F)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1

InChIKey

WKJDXKWFGJWGAS-XMMPIXPASA-N

Compound name

N-[(11S)-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide

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]+	439.15648	203.6
[M+Na]+	461.13842	215.6
[M+NH4]+	456.18302	209.5
[M+K]+	477.11236	212.2
[M-H]-	437.14192	207.0
[M+Na-2H]-	459.12387	208.3
[M]+	438.14865	206.2
[M]-	438.14975	206.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.15648

203.6

[M+Na]+

461.13842

215.6

[M+NH4]+

456.18302

209.5

[M+K]+

477.11236

212.2

[M-H]-

437.14192

207.0

[M+Na-2H]-

459.12387

208.3

[M]+

438.14865

206.2

[M]-

438.14975

206.2

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

Pranazepide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe