CID 509831

Schembl7484863

Structural Information

Molecular Formula
C18H19N5O4S2
SMILES
COC1=CC=CC=C1C(=O)NC2=NN=C(S2)NCCC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C18H19N5O4S2/c1-27-15-5-3-2-4-14(15)16(24)21-18-23-22-17(28-18)20-11-10-12-6-8-13(9-7-12)29(19,25)26/h2-9H,10-11H2,1H3,(H,20,22)(H2,19,25,26)(H,21,23,24)
InChIKey
ASLHJQHCFHGJCU-UHFFFAOYSA-N
Compound name
2-methoxy-N-[5-[2-(4-sulfamoylphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

433.08786 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.09514 196.4
[M+Na]+ 456.07708 202.8
[M-H]- 432.08058 203.0
[M+NH4]+ 451.12168 204.3
[M+K]+ 472.05102 196.2
[M+H-H2O]+ 416.08512 187.4
[M+HCOO]- 478.08606 209.6
[M+CH3COO]- 492.10171 227.8
[M+Na-2H]- 454.06253 198.8
[M]+ 433.08731 199.4
[M]- 433.08841 199.4
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