CID 509421

Schembl7483315

Structural Information

Molecular Formula
C26H36N4O2S
SMILES
CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=C(C=CC3=CC=CC=C32)OCC
InChI
InChI=1S/C26H36N4O2S/c1-3-5-6-7-8-9-10-11-14-19-27-25-29-30-26(33-25)28-24(31)23-21-16-13-12-15-20(21)17-18-22(23)32-4-2/h12-13,15-18H,3-11,14,19H2,1-2H3,(H,27,29)(H,28,30,31)
InChIKey
ACXLNKMOYKJEJO-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

468.2559 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.26318 214.9
[M+Na]+ 491.24512 219.4
[M-H]- 467.24862 218.9
[M+NH4]+ 486.28972 223.4
[M+K]+ 507.21906 212.2
[M+H-H2O]+ 451.25316 204.3
[M+HCOO]- 513.25410 231.2
[M+CH3COO]- 527.26975 240.1
[M+Na-2H]- 489.23057 214.3
[M]+ 468.25535 223.5
[M]- 468.25645 223.5
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