CID 509903

Schembl7481525

Structural Information

Molecular Formula
C20H18N4O3S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCC4=CC=CO4
InChI
InChI=1S/C20H18N4O3S/c1-2-26-16-10-9-13-6-3-4-8-15(13)17(16)18(25)22-20-24-23-19(28-20)21-12-14-7-5-11-27-14/h3-11H,2,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKey
DYINHKDZTPUOHU-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

394.10995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.11723 189.1
[M+Na]+ 417.09917 198.0
[M-H]- 393.10267 199.5
[M+NH4]+ 412.14377 201.0
[M+K]+ 433.07311 193.9
[M+H-H2O]+ 377.10721 180.8
[M+HCOO]- 439.10815 209.4
[M+CH3COO]- 453.12380 200.1
[M+Na-2H]- 415.08462 191.6
[M]+ 394.10940 196.5
[M]- 394.11050 196.5
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