CID 510233

Schembl7480739

Structural Information

Molecular Formula
C15H15N5O2S2
SMILES
CC(=O)NCCNC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3S2
InChI
InChI=1S/C15H15N5O2S2/c1-9(21)16-6-7-17-14-19-20-15(24-14)18-13(22)12-8-10-4-2-3-5-11(10)23-12/h2-5,8H,6-7H2,1H3,(H,16,21)(H,17,19)(H,18,20,22)
InChIKey
YYHMEHJOTZHKBH-UHFFFAOYSA-N
Compound name
N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

361.0667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.07398 177.4
[M+Na]+ 384.05592 185.8
[M-H]- 360.05942 183.4
[M+NH4]+ 379.10052 192.2
[M+K]+ 400.02986 180.5
[M+H-H2O]+ 344.06396 170.5
[M+HCOO]- 406.06490 193.2
[M+CH3COO]- 420.08055 187.8
[M+Na-2H]- 382.04137 179.4
[M]+ 361.06615 182.5
[M]- 361.06725 182.5
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