CID 461898

Pd 129626

Structural Information

Molecular Formula
C20H23FN4O5
SMILES
CCNCC1CCN(C1)C2=C(C=C3C(=C2[N+](=O)[O-])N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H23FN4O5/c1-2-22-8-11-5-6-23(9-11)17-15(21)7-13-16(18(17)25(29)30)24(12-3-4-12)10-14(19(13)26)20(27)28/h7,10-12,22H,2-6,8-9H2,1H3,(H,27,28)
InChIKey
BVGNKCVKOCTQQH-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

418.16525 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17253 189.6
[M+Na]+ 441.15447 196.7
[M-H]- 417.15797 195.6
[M+NH4]+ 436.19907 193.7
[M+K]+ 457.12841 185.2
[M+H-H2O]+ 401.16251 185.2
[M+HCOO]- 463.16345 206.2
[M+CH3COO]- 477.17910 224.1
[M+Na-2H]- 439.13992 190.3
[M]+ 418.16470 189.4
[M]- 418.16580 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.