CID 3010724

Methanesulfonamide, n-[4-[2-(11-ethyl-2-fluoro-6,11-dihydro-5-methyl-6-oxo-5h-dipyrido[2,3-e:3',2'-b][1,4]diazepin-8-yl)ethoxy]-1-naphthalenyl]-1,1,1-trifluoro-

Structural Information

Molecular Formula
C27H23F4N5O4S
SMILES
CCN1C2=C(C=CC(=N2)F)N(C(=O)C3=C1N=CC(=C3)CCOC4=CC=C(C5=CC=CC=C54)NS(=O)(=O)C(F)(F)F)C
InChI
InChI=1S/C27H23F4N5O4S/c1-3-36-24-19(26(37)35(2)21-9-11-23(28)33-25(21)36)14-16(15-32-24)12-13-40-22-10-8-20(17-6-4-5-7-18(17)22)34-41(38,39)27(29,30)31/h4-11,14-15,34H,3,12-13H2,1-2H3
InChIKey
QNJGQZQYDAPECU-UHFFFAOYSA-N
Compound name
N-[4-[2-(2-ethyl-5-fluoro-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]naphthalen-1-yl]-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.1407 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.14798 240.0
[M+Na]+ 612.12992 249.3
[M-H]- 588.13342 240.7
[M+NH4]+ 607.17452 241.2
[M+K]+ 628.10386 246.6
[M+H-H2O]+ 572.13796 225.8
[M+HCOO]- 634.13890 242.3
[M+CH3COO]- 648.15455 256.7
[M+Na-2H]- 610.11537 243.0
[M]+ 589.14015 240.1
[M]- 589.14125 240.1
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.