PubChemLite - Schembl6441206 (C24H22FN5O3)

Structural Information

Molecular Formula

SMILES

C1CN=C(N1)C2=C3C(=C(C=C2)F)C(=CN3)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H22FN5O3/c25-18-7-6-16(22-26-8-9-27-22)20-19(18)17(14-28-20)21(31)24(33)30-12-10-29(11-13-30)23(32)15-4-2-1-3-5-15/h1-7,14,28H,8-13H2,(H,26,27)

InChIKey

CDHBSPINQWBLTN-UHFFFAOYSA-N

Compound name

1-(4-benzoylpiperazin-1-yl)-2-[7-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1H-indol-3-yl]ethane-1,2-dione

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]+	448.17793	203.1
[M+Na]+	470.15987	207.6
[M-H]-	446.16337	207.0
[M+NH4]+	465.20447	207.0
[M+K]+	486.13381	200.0
[M+H-H2O]+	430.16791	190.6
[M+HCOO]-	492.16885	211.0
[M+CH3COO]-	506.18450	208.3
[M+Na-2H]-	468.14532	197.3
[M]+	447.17010	196.6
[M]-	447.17120	196.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

448.17793

203.1

[M+Na]+

470.15987

207.6

[M-H]-

446.16337

207.0

[M+NH4]+

465.20447

207.0

[M+K]+

486.13381

200.0

[M+H-H2O]+

430.16791

190.6

[M+HCOO]-

492.16885

211.0

[M+CH3COO]-

506.18450

208.3

[M+Na-2H]-

468.14532

197.3

[M]+

447.17010

196.6

[M]-

447.17120

196.6

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

Schembl6441206

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe