CID 509751

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

Structural Information

Molecular Formula
C20H16F3N5OS
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C20H16F3N5OS/c21-20(22,23)14-7-5-12(6-8-14)17(29)26-19-28-27-18(30-19)24-10-9-13-11-25-16-4-2-1-3-15(13)16/h1-8,11,25H,9-10H2,(H,24,27)(H,26,28,29)
InChIKey
SQYKYYKUNCAINR-UHFFFAOYSA-N
Compound name
N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

431.10275 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.11003 192.4
[M+Na]+ 454.09197 201.6
[M-H]- 430.09547 195.8
[M+NH4]+ 449.13657 202.3
[M+K]+ 470.06591 193.5
[M+H-H2O]+ 414.10001 181.6
[M+HCOO]- 476.10095 205.8
[M+CH3COO]- 490.11660 200.8
[M+Na-2H]- 452.07742 193.7
[M]+ 431.10220 192.2
[M]- 431.10330 192.2
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