CID 3009254

2-naphthalenol, 3-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]-

Structural Information

Molecular Formula
C18H19N3OS
SMILES
C1CCC(CC1)NC2=NN=C(S2)C3=CC4=CC=CC=C4C=C3O
InChI
InChI=1S/C18H19N3OS/c22-16-11-13-7-5-4-6-12(13)10-15(16)17-20-21-18(23-17)19-14-8-2-1-3-9-14/h4-7,10-11,14,22H,1-3,8-9H2,(H,19,21)
InChIKey
WXXHAXQCLNBQES-UHFFFAOYSA-N
Compound name
3-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.12488 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13216 171.5
[M+Na]+ 348.11410 179.3
[M-H]- 324.11760 178.3
[M+NH4]+ 343.15870 185.3
[M+K]+ 364.08804 172.3
[M+H-H2O]+ 308.12214 162.9
[M+HCOO]- 370.12308 186.2
[M+CH3COO]- 384.13873 181.7
[M+Na-2H]- 346.09955 174.1
[M]+ 325.12433 170.0
[M]- 325.12543 170.0
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

No patent data available for this compound.