CID 509826

Schembl7487300

Structural Information

Molecular Formula
C18H13FN4OS2
SMILES
C1=CC=C2C(=C1)C=C(S2)C(=O)NC3=NN=C(S3)NCC4=CC=C(C=C4)F
InChI
InChI=1S/C18H13FN4OS2/c19-13-7-5-11(6-8-13)10-20-17-22-23-18(26-17)21-16(24)15-9-12-3-1-2-4-14(12)25-15/h1-9H,10H2,(H,20,22)(H,21,23,24)
InChIKey
SPXNJTLVILXKRF-UHFFFAOYSA-N
Compound name
N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

384.05148 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05876 181.0
[M+Na]+ 407.04070 192.2
[M-H]- 383.04420 189.4
[M+NH4]+ 402.08530 195.5
[M+K]+ 423.01464 184.7
[M+H-H2O]+ 367.04874 173.4
[M+HCOO]- 429.04968 196.4
[M+CH3COO]- 443.06533 192.1
[M+Na-2H]- 405.02615 182.4
[M]+ 384.05093 185.3
[M]- 384.05203 185.3
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