CID 510301

Schembl7485066

Structural Information

Molecular Formula
C17H19N5O2S2
SMILES
C1COCCN1CCNC2=NN=C(S2)NC(=O)C3=CC4=CC=CC=C4S3
InChI
InChI=1S/C17H19N5O2S2/c23-15(14-11-12-3-1-2-4-13(12)25-14)19-17-21-20-16(26-17)18-5-6-22-7-9-24-10-8-22/h1-4,11H,5-10H2,(H,18,20)(H,19,21,23)
InChIKey
WBSQQDRGRRFSHY-UHFFFAOYSA-N
Compound name
N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

389.09802 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10530 181.1
[M+Na]+ 412.08724 188.9
[M-H]- 388.09074 188.7
[M+NH4]+ 407.13184 192.4
[M+K]+ 428.06118 184.3
[M+H-H2O]+ 372.09528 174.1
[M+HCOO]- 434.09622 192.2
[M+CH3COO]- 448.11187 190.6
[M+Na-2H]- 410.07269 182.0
[M]+ 389.09747 183.6
[M]- 389.09857 183.6
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