CID 509754

Schembl7482181

Structural Information

Molecular Formula
C14H12N4OS2
SMILES
C1CC1NC2=NN=C(S2)NC(=O)C3=CC4=CC=CC=C4S3
InChI
InChI=1S/C14H12N4OS2/c19-12(11-7-8-3-1-2-4-10(8)20-11)16-14-18-17-13(21-14)15-9-5-6-9/h1-4,7,9H,5-6H2,(H,15,17)(H,16,18,19)
InChIKey
LDNYCTIEVFVVOL-UHFFFAOYSA-N
Compound name
N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

316.04526 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05254 158.1
[M+Na]+ 339.03448 170.0
[M-H]- 315.03798 167.5
[M+NH4]+ 334.07908 170.6
[M+K]+ 355.00842 163.2
[M+H-H2O]+ 299.04252 152.5
[M+HCOO]- 361.04346 174.9
[M+CH3COO]- 375.05911 170.2
[M+Na-2H]- 337.01993 160.7
[M]+ 316.04471 164.5
[M]- 316.04581 164.5
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

patents stripe