CID 509353

Schembl7487359

Structural Information

Molecular Formula
C20H18N4O2S2
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCC4=CC=CS4
InChI
InChI=1S/C20H18N4O2S2/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
SWLJOTTVXVACFD-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-(thiophen-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

410.08713 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.09441 190.7
[M+Na]+ 433.07635 200.5
[M-H]- 409.07985 200.1
[M+NH4]+ 428.12095 204.0
[M+K]+ 449.05029 193.8
[M+H-H2O]+ 393.08439 183.5
[M+HCOO]- 455.08533 206.6
[M+CH3COO]- 469.10098 201.1
[M+Na-2H]- 431.06180 192.0
[M]+ 410.08658 197.6
[M]- 410.08768 197.6
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