CID 470365

Pd123767

Structural Information

Molecular Formula
C19H21F2N3O3
SMILES
CN(C)C1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H21F2N3O3/c1-22(2)11-5-6-23(8-11)17-14(20)7-12-16(15(17)21)24(10-3-4-10)9-13(18(12)25)19(26)27/h7,9-11H,3-6,8H2,1-2H3,(H,26,27)
InChIKey
DFWUEQJNVOXXQS-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[3-(dimethylamino)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

377.1551 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16238 185.7
[M+Na]+ 400.14432 195.9
[M-H]- 376.14782 192.1
[M+NH4]+ 395.18892 193.2
[M+K]+ 416.11826 189.1
[M+H-H2O]+ 360.15236 176.0
[M+HCOO]- 422.15330 201.3
[M+CH3COO]- 436.16895 225.8
[M+Na-2H]- 398.12977 182.1
[M]+ 377.15455 187.0
[M]- 377.15565 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.