PubChemLite - Dw-286 (C20H23FN4O4)

Structural Information

Molecular Formula

SMILES

CC\1(CN(C/C1=N\OC)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)CN

InChI

InChI=1S/C20H23FN4O4/c1-20(9-22)10-24(8-17(20)23-29-2)16-6-15-12(5-14(16)21)18(26)13(19(27)28)7-25(15)11-3-4-11/h5-7,11H,3-4,8-10,22H2,1-2H3,(H,27,28)/b23-17+

InChIKey

FWLGVVDFAIKPIN-HAVVHWLPSA-N

Compound name

7-[(4Z)-3-(aminomethyl)-4-methoxyimino-3-methylpyrrolidin-1-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]+	403.17760	193.3
[M+Na]+	425.15954	203.6
[M-H]-	401.16304	200.7
[M+NH4]+	420.20414	201.3
[M+K]+	441.13348	197.1
[M+H-H2O]+	385.16758	185.3
[M+HCOO]-	447.16852	210.9
[M+CH3COO]-	461.18417	230.3
[M+Na-2H]-	423.14499	192.1
[M]+	402.16977	196.3
[M]-	402.17087	196.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.17760

193.3

[M+Na]+

425.15954

203.6

[M-H]-

401.16304

200.7

[M+NH4]+

420.20414

201.3

[M+K]+

441.13348

197.1

[M+H-H2O]+

385.16758

185.3

[M+HCOO]-

447.16852

210.9

[M+CH3COO]-

461.18417

230.3

[M+Na-2H]-

423.14499

192.1

[M]+

402.16977

196.3

[M]-

402.17087

196.3

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

Dw-286

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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