CID 71263688

Schembl14707660

Structural Information

Molecular Formula
C20H22N4OS
SMILES
CCN(C1=NN=C(S1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C20H22N4OS/c1-5-24(18(25)15-7-6-12-21-13-15)19-23-22-17(26-19)14-8-10-16(11-9-14)20(2,3)4/h6-13H,5H2,1-4H3
InChIKey
XMRKDXZDAAFZDU-UHFFFAOYSA-N
Compound name
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.15143 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15871 189.0
[M+Na]+ 389.14065 196.4
[M-H]- 365.14415 196.8
[M+NH4]+ 384.18525 200.0
[M+K]+ 405.11459 191.6
[M+H-H2O]+ 349.14869 179.0
[M+HCOO]- 411.14963 204.0
[M+CH3COO]- 425.16528 218.8
[M+Na-2H]- 387.12610 189.3
[M]+ 366.15088 193.0
[M]- 366.15198 193.0
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