CID 509372

Schembl7479432

Structural Information

Molecular Formula
C21H20N4O2S2
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCC4=CC=CS4
InChI
InChI=1S/C21H20N4O2S2/c1-2-27-17-10-9-14-6-3-4-8-16(14)18(17)19(26)23-21-25-24-20(29-21)22-12-11-15-7-5-13-28-15/h3-10,13H,2,11-12H2,1H3,(H,22,24)(H,23,25,26)
InChIKey
MGANVSMJUITWNT-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

424.10278 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.11006 194.7
[M+Na]+ 447.09200 203.9
[M-H]- 423.09550 203.8
[M+NH4]+ 442.13660 207.4
[M+K]+ 463.06594 197.0
[M+H-H2O]+ 407.10004 187.3
[M+HCOO]- 469.10098 210.2
[M+CH3COO]- 483.11663 204.6
[M+Na-2H]- 445.07745 195.5
[M]+ 424.10223 201.8
[M]- 424.10333 201.8
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