CID 9904117

Chembl111554

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
CS(=O)(=O)NC1=CC=CC2=C1CCCC2C3=CN=CN3
InChI
InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)
InChIKey
FTWWLMPVXHMPNP-UHFFFAOYSA-N
Compound name
N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

291.10416 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 164.9
[M+Na]+ 314.09338 172.7
[M-H]- 290.09688 168.6
[M+NH4]+ 309.13798 180.2
[M+K]+ 330.06732 167.2
[M+H-H2O]+ 274.10142 157.8
[M+HCOO]- 336.10236 178.3
[M+CH3COO]- 350.11801 175.4
[M+Na-2H]- 312.07883 168.6
[M]+ 291.10361 163.6
[M]- 291.10471 163.6
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

patents stripe