PubChemLite - Adavivint (C29H24FN7O)

Structural Information

Molecular Formula

SMILES

CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC3=C(C=C2)NN=C3C4=NC5=C(N4)C=NC=C5C6=CC(=CC=C6)F

InChI

InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)

InChIKey

AQDWDWAYVBQMAM-UHFFFAOYSA-N

Compound name

N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-yl]-3-methylbutanamide

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]+	506.20992	220.4
[M+Na]+	528.19186	236.5
[M+NH4]+	523.23646	224.7
[M+K]+	544.16580	232.3
[M-H]-	504.19536	224.9
[M+Na-2H]-	526.17731	228.9
[M]+	505.20209	223.9
[M]-	505.20319	223.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.20992

220.4

[M+Na]+

528.19186

236.5

[M+NH4]+

523.23646

224.7

[M+K]+

544.16580

232.3

[M-H]-

504.19536

224.9

[M+Na-2H]-

526.17731

228.9

[M]+

505.20209

223.9

[M]-

505.20319

223.9

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

Adavivint

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe