CID 3010723

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]-

Structural Information

Molecular Formula
C27H26FN5O4S
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)C
InChI
InChI=1S/C27H26FN5O4S/c1-4-33-25-20(27(34)32(2)22-10-12-24(28)30-26(22)33)15-17(16-29-25)13-14-37-23-11-9-21(31-38(3,35)36)18-7-5-6-8-19(18)23/h5-12,15-16,31H,4,13-14H2,1-3H3
InChIKey
SETMYKLPSHYAHE-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]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.16895 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.17623 234.1
[M+Na]+ 558.15817 243.0
[M-H]- 534.16167 238.3
[M+NH4]+ 553.20277 237.3
[M+K]+ 574.13211 240.7
[M+H-H2O]+ 518.16621 221.8
[M+HCOO]- 580.16715 240.7
[M+CH3COO]- 594.18280 239.3
[M+Na-2H]- 556.14362 237.0
[M]+ 535.16840 237.3
[M]- 535.16950 237.3
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.