CID 509848

Schembl7484718

Structural Information

Molecular Formula
C25H24N4O2S
SMILES
COC1=CC=CC=C1C(=O)NC2=NN=C(S2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H24N4O2S/c1-31-22-15-9-8-14-21(22)23(30)27-25-29-28-24(32-25)26-17-16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,20H,16-17H2,1H3,(H,26,28)(H,27,29,30)
InChIKey
MMEDGWDLIRXOEH-UHFFFAOYSA-N
Compound name
N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

444.162 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.16928 203.7
[M+Na]+ 467.15122 207.9
[M-H]- 443.15472 213.5
[M+NH4]+ 462.19582 210.7
[M+K]+ 483.12516 201.2
[M+H-H2O]+ 427.15926 192.4
[M+HCOO]- 489.16020 220.9
[M+CH3COO]- 503.17585 211.4
[M+Na-2H]- 465.13667 204.3
[M]+ 444.16145 205.6
[M]- 444.16255 205.6
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

No patent data available for this compound.