CID 509785

Schembl7485302

Structural Information

Molecular Formula
C19H22N4O2S2
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCSCC
InChI
InChI=1S/C19H22N4O2S2/c1-3-25-15-10-9-13-7-5-6-8-14(13)16(15)17(24)21-19-23-22-18(27-19)20-11-12-26-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKey
ZWYZHHXTIWTMPS-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-(2-ethylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

402.1184 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12568 189.1
[M+Na]+ 425.10762 197.2
[M-H]- 401.11112 194.0
[M+NH4]+ 420.15222 200.8
[M+K]+ 441.08156 190.1
[M+H-H2O]+ 385.11566 180.8
[M+HCOO]- 447.11660 202.4
[M+CH3COO]- 461.13225 223.7
[M+Na-2H]- 423.09307 191.0
[M]+ 402.11785 196.4
[M]- 402.11895 196.4
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