PubChemLite - U77f86vl6n (C24H25N7O)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)CC2=CC3=C(C=C2)NC(=C3)C4=NNC5=C4C=CC(=C5)C6=NNN=C6CO

InChI

InChI=1S/C24H25N7O/c32-14-22-23(29-30-27-22)16-5-6-18-20(11-16)26-28-24(18)21-12-17-10-15(4-7-19(17)25-21)13-31-8-2-1-3-9-31/h4-7,10-12,25,32H,1-3,8-9,13-14H2,(H,26,28)(H,27,29,30)

InChIKey

FNWHPLLNMLOZTL-UHFFFAOYSA-N

Compound name

[5-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol

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]+	428.21935	196.6
[M+Na]+	450.20129	204.6
[M-H]-	426.20479	199.8
[M+NH4]+	445.24589	201.4
[M+K]+	466.17523	194.3
[M+H-H2O]+	410.20933	185.3
[M+HCOO]-	472.21027	205.6
[M+CH3COO]-	486.22592	202.6
[M+Na-2H]-	448.18674	193.4
[M]+	427.21152	193.1
[M]-	427.21262	193.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

428.21935

196.6

[M+Na]+

450.20129

204.6

[M-H]-

426.20479

199.8

[M+NH4]+

445.24589

201.4

[M+K]+

466.17523

194.3

[M+H-H2O]+

410.20933

185.3

[M+HCOO]-

472.21027

205.6

[M+CH3COO]-

486.22592

202.6

[M+Na-2H]-

448.18674

193.4

[M]+

427.21152

193.1

[M]-

427.21262

193.1

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

U77f86vl6n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe