CID 16075334

1-cyclopropyl-7-[4-[2-(11-cyclopropyl-4-methyl-6-oxo-dipyrido[[?],[?]][1,4]diazepin-5-yl)-2-oxo-ethyl]piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C34H32FN7O5
SMILES
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2C(=O)CN4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)O)C7CC7)F)C8CC8
InChI
InChI=1S/C34H32FN7O5/c1-19-8-10-37-32-29(19)42(33(45)22-3-2-9-36-31(22)41(32)21-6-7-21)28(43)18-38-11-13-39(14-12-38)27-16-26-23(15-25(27)35)30(44)24(34(46)47)17-40(26)20-4-5-20/h2-3,8-10,15-17,20-21H,4-7,11-14,18H2,1H3,(H,46,47)
InChIKey
FZBZALAUGQYAJE-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[4-[2-(2-cyclopropyl-7-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-yl)-2-oxoethyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

637.2449 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.25218 273.4
[M+Na]+ 660.23412 279.4
[M-H]- 636.23762 277.6
[M+NH4]+ 655.27872 260.2
[M+K]+ 676.20806 272.7
[M+H-H2O]+ 620.24216 260.2
[M+HCOO]- 682.24310 273.1
[M+CH3COO]- 696.25875 271.0
[M+Na-2H]- 658.21957 264.1
[M]+ 637.24435 271.5
[M]- 637.24545 271.5
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.