CID 509364

Schembl7480887

Structural Information

Molecular Formula
C20H20N6O2S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCC4=CN=CN4
InChI
InChI=1S/C20H20N6O2S/c1-2-28-16-8-7-13-5-3-4-6-15(13)17(16)18(27)24-20-26-25-19(29-20)22-10-9-14-11-21-12-23-14/h3-8,11-12H,2,9-10H2,1H3,(H,21,23)(H,22,25)(H,24,26,27)
InChIKey
STMLWPZJJDOKGD-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

408.13684 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14412 190.0
[M+Na]+ 431.12606 198.4
[M-H]- 407.12956 196.0
[M+NH4]+ 426.17066 199.3
[M+K]+ 447.10000 191.6
[M+H-H2O]+ 391.13410 180.6
[M+HCOO]- 453.13504 207.0
[M+CH3COO]- 467.15069 199.1
[M+Na-2H]- 429.11151 192.0
[M]+ 408.13629 194.7
[M]- 408.13739 194.7
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