CID 483164

Schembl6212519

Structural Information

Molecular Formula

C₁₉H₂₀FN₃O₃

SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC5CCNC5C4)F)C(=O)O

InChI

InChI=1S/C19H20FN3O3/c20-14-5-12-16(6-17(14)22-7-10-3-4-21-15(10)9-22)23(11-1-2-11)8-13(18(12)24)19(25)26/h5-6,8,10-11,15,21H,1-4,7,9H2,(H,25,26)

InChIKey

IRVHDRHOLPPAKG-UHFFFAOYSA-N

Compound name

7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 357.14886 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

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]+	358.156136	184.9
[M+Na]+	380.138078	194.8
[M-H]-	356.141584	189.4
[M+NH4]+	375.182683	193.2
[M+K]+	396.112018	186.0
[M+H-H2O]+	340.146120	176.9
[M+HCOO]-	402.147061	196.2
[M+CH3COO]-	416.162711	193.1
[M+Na-2H]-	378.123526	180.7
[M]+	357.14831142	183.4
[M]-	357.14940858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe