PubChemLite - 1235859-13-8 (C21H20FN5O2)

Structural Information

Molecular Formula

SMILES

C1C(CC2C1C2NCC3=NC4=C(C=C3)C=C(C=C4)F)C5=NC=C(C=N5)C(=O)NO

InChI

InChI=1S/C21H20FN5O2/c22-14-2-4-18-11(5-14)1-3-15(26-18)10-23-19-16-6-12(7-17(16)19)20-24-8-13(9-25-20)21(28)27-29/h1-5,8-9,12,16-17,19,23,29H,6-7,10H2,(H,27,28)

InChIKey

YUARZLJFVKGLFC-UHFFFAOYSA-N

Compound name

2-[6-[(6-fluoroquinolin-2-yl)methylamino]-3-bicyclo[3.1.0]hexanyl]-N-hydroxypyrimidine-5-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]+	394.16738	190.9
[M+Na]+	416.14932	199.9
[M-H]-	392.15282	196.3
[M+NH4]+	411.19392	196.0
[M+K]+	432.12326	190.9
[M+H-H2O]+	376.15736	180.7
[M+HCOO]-	438.15830	207.2
[M+CH3COO]-	452.17395	198.6
[M+Na-2H]-	414.13477	193.4
[M]+	393.15955	191.2
[M]-	393.16065	191.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

394.16738

190.9

[M+Na]+

416.14932

199.9

[M-H]-

392.15282

196.3

[M+NH4]+

411.19392

196.0

[M+K]+

432.12326

190.9

[M+H-H2O]+

376.15736

180.7

[M+HCOO]-

438.15830

207.2

[M+CH3COO]-

452.17395

198.6

[M+Na-2H]-

414.13477

193.4

[M]+

393.15955

191.2

[M]-

393.16065

191.2

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

1235859-13-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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