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]+ 359.12848 180.7
[M+Na]+ 381.11042 187.2
[M-H]- 357.11392 184.2
[M+NH4]+ 376.15502 187.7
[M+K]+ 397.08436 182.7
[M+H-H2O]+ 341.11846 163.4
[M+HCOO]- 403.11940 190.7
[M+CH3COO]- 417.13505 187.4
[M+Na-2H]- 379.09587 181.1
[M]+ 358.12065 174.1
[M]- 358.12175 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