CID 3012455

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

Structural Information

Molecular Formula
C24H27N5O4S
SMILES
CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)CCOC4=C(C=C(C=C4)NS(=O)(=O)C)C)C
InChI
InChI=1S/C24H27N5O4S/c1-5-29-22-19(24(30)28(3)20-7-6-11-25-23(20)29)14-17(15-26-22)10-12-33-21-9-8-18(13-16(21)2)27-34(4,31)32/h6-9,11,13-15,27H,5,10,12H2,1-4H3
InChIKey
XCFWDMTUJZTMHK-UHFFFAOYSA-N
Compound name
N-[4-[2-(2-ethyl-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]-3-methylphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.17838 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.18566 221.9
[M+Na]+ 504.16760 230.1
[M-H]- 480.17110 226.6
[M+NH4]+ 499.21220 226.4
[M+K]+ 520.14154 228.9
[M+H-H2O]+ 464.17564 210.6
[M+HCOO]- 526.17658 230.8
[M+CH3COO]- 540.19223 240.2
[M+Na-2H]- 502.15305 224.1
[M]+ 481.17783 225.9
[M]- 481.17893 225.9
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.