CID 509841

N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C25H21F3N4OS
SMILES
C1=CC=C(C=C1)C(CCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C25H21F3N4OS/c26-25(27,28)20-13-11-19(12-14-20)22(33)30-24-32-31-23(34-24)29-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,29,31)(H,30,32,33)
InChIKey
FZJUEIAQTBDBEB-UHFFFAOYSA-N
Compound name
N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

482.13882 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.14610 208.7
[M+Na]+ 505.12804 213.8
[M-H]- 481.13154 214.6
[M+NH4]+ 500.17264 214.3
[M+K]+ 521.10198 205.5
[M+H-H2O]+ 465.13608 195.2
[M+HCOO]- 527.13702 221.0
[M+CH3COO]- 541.15267 215.0
[M+Na-2H]- 503.11349 208.6
[M]+ 482.13827 206.1
[M]- 482.13937 206.1
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