CID 391347

Nsc690377

Structural Information

Molecular Formula
C17H17N3O3S
SMILES
C1CCC2=C(CC1)N(C(=O)C(=C2)C#N)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O3S/c18-12-14-11-13-7-3-1-6-10-16(13)20(17(14)21)19-24(22,23)15-8-4-2-5-9-15/h2,4-5,8-9,11,19H,1,3,6-7,10H2
InChIKey
QGPXDLBEMFNPNR-UHFFFAOYSA-N
Compound name
N-(3-cyano-2-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.09906 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10634 189.8
[M+Na]+ 366.08828 197.7
[M-H]- 342.09178 195.4
[M+NH4]+ 361.13288 200.4
[M+K]+ 382.06222 196.1
[M+H-H2O]+ 326.09632 176.3
[M+HCOO]- 388.09726 200.4
[M+CH3COO]- 402.11291 197.2
[M+Na-2H]- 364.07373 192.0
[M]+ 343.09851 182.5
[M]- 343.09961 182.5
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.