CID 509306

Schembl7483163

Structural Information

Molecular Formula
C22H21N5O4S2
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C22H21N5O4S2/c1-2-31-18-12-9-15-5-3-4-6-17(15)19(18)20(28)25-22-27-26-21(32-22)24-13-14-7-10-16(11-8-14)33(23,29)30/h3-12H,2,13H2,1H3,(H,24,26)(H2,23,29,30)(H,25,27,28)
InChIKey
MPWGNPVQOOTAJK-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

483.1035 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.11078 208.3
[M+Na]+ 506.09272 215.9
[M-H]- 482.09622 215.9
[M+NH4]+ 501.13732 215.3
[M+K]+ 522.06666 208.6
[M+H-H2O]+ 466.10076 199.6
[M+HCOO]- 528.10170 221.4
[M+CH3COO]- 542.11735 238.1
[M+Na-2H]- 504.07817 213.1
[M]+ 483.10295 213.5
[M]- 483.10405 213.5
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

No patent data available for this compound.