CID 510290

Schembl7479959

Structural Information

Molecular Formula
C16H18N6O2S
SMILES
C1COCCN1CCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C16H18N6O2S/c17-11-12-1-3-13(4-2-12)14(23)19-16-21-20-15(25-16)18-5-6-22-7-9-24-10-8-22/h1-4H,5-10H2,(H,18,20)(H,19,21,23)
InChIKey
ZBCOUCRRJAYHBP-UHFFFAOYSA-N
Compound name
4-cyano-N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

358.1212 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.128476 180.7
[M+Na]+ 381.110418 187.2
[M-H]- 357.113924 184.2
[M+NH4]+ 376.155023 187.7
[M+K]+ 397.084358 182.7
[M+H-H2O]+ 341.118460 163.4
[M+HCOO]- 403.119401 190.7
[M+CH3COO]- 417.135051 187.4
[M+Na-2H]- 379.095866 181.1
[M]+ 358.12065142 174.1
[M]- 358.12174858 174.1
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