PubChemLite - Schembl8122323 (C23H24FN3O3)

Structural Information

Molecular Formula

SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC5C6CCC(C5C4)(C=C6)N)F)C(=O)O

InChI

InChI=1S/C23H24FN3O3/c24-18-7-14-19(27(13-1-2-13)10-16(21(14)28)22(29)30)8-20(18)26-9-15-12-3-5-23(25,6-4-12)17(15)11-26/h3,5,7-8,10,12-13,15,17H,1-2,4,6,9,11,25H2,(H,29,30)

InChIKey

IDEDYNWCRQUQIO-UHFFFAOYSA-N

Compound name

7-(1-amino-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

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]+	410.18746	189.8
[M+Na]+	432.16940	197.2
[M-H]-	408.17290	190.8
[M+NH4]+	427.21400	200.6
[M+K]+	448.14334	189.3
[M+H-H2O]+	392.17744	180.4
[M+HCOO]-	454.17838	193.6
[M+CH3COO]-	468.19403	195.9
[M+Na-2H]-	430.15485	192.2
[M]+	409.17963	191.2
[M]-	409.18073	191.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

410.18746

189.8

[M+Na]+

432.16940

197.2

[M-H]-

408.17290

190.8

[M+NH4]+

427.21400

200.6

[M+K]+

448.14334

189.3

[M+H-H2O]+

392.17744

180.4

[M+HCOO]-

454.17838

193.6

[M+CH3COO]-

468.19403

195.9

[M+Na-2H]-

430.15485

192.2

[M]+

409.17963

191.2

[M]-

409.18073

191.2

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

Schembl8122323

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe