CID 509944

Schembl7484068

Structural Information

Molecular Formula
C18H20N4OS2
SMILES
C1CCCC(CC1)NC2=NN=C(S2)NC(=O)C3=CC4=CC=CC=C4S3
InChI
InChI=1S/C18H20N4OS2/c23-16(15-11-12-7-5-6-10-14(12)24-15)20-18-22-21-17(25-18)19-13-8-3-1-2-4-9-13/h5-7,10-11,13H,1-4,8-9H2,(H,19,21)(H,20,22,23)
InChIKey
HFNDVMCRDAGAQT-UHFFFAOYSA-N
Compound name
N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

372.10785 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11513 189.4
[M+Na]+ 395.09707 194.5
[M-H]- 371.10057 198.2
[M+NH4]+ 390.14167 202.6
[M+K]+ 411.07101 192.8
[M+H-H2O]+ 355.10511 181.6
[M+HCOO]- 417.10605 200.8
[M+CH3COO]- 431.12170 197.8
[M+Na-2H]- 393.08252 187.5
[M]+ 372.10730 186.4
[M]- 372.10840 186.4
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

patents stripe