CID 509914

Schembl7483331

Structural Information

Molecular Formula
C24H22N4O2S
SMILES
COC1=CC=CC=C1C(=O)NC2=NN=C(S2)NCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H22N4O2S/c1-30-21-15-9-8-14-19(21)22(29)26-24-28-27-23(31-24)25-16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20H,16H2,1H3,(H,25,27)(H,26,28,29)
InChIKey
YLSNHQVVIOKKHS-UHFFFAOYSA-N
Compound name
N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

430.14636 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.15364 199.7
[M+Na]+ 453.13558 204.4
[M-H]- 429.13908 209.7
[M+NH4]+ 448.18018 207.3
[M+K]+ 469.10952 197.9
[M+H-H2O]+ 413.14362 188.5
[M+HCOO]- 475.14456 217.2
[M+CH3COO]- 489.16021 207.8
[M+Na-2H]- 451.12103 200.8
[M]+ 430.14581 201.3
[M]- 430.14691 201.3
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