CID 9952773

Tak-715

Structural Information

Molecular Formula
C24H21N3OS
SMILES
CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C
InChI
InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
InChIKey
HEKAIDKUDLCBRU-UHFFFAOYSA-N
Compound name
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

687
Patents

399.14053 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14781 196.7
[M+Na]+ 422.12975 204.9
[M-H]- 398.13325 207.5
[M+NH4]+ 417.17435 206.8
[M+K]+ 438.10369 197.0
[M+H-H2O]+ 382.13779 186.2
[M+HCOO]- 444.13873 214.1
[M+CH3COO]- 458.15438 206.3
[M+Na-2H]- 420.11520 195.7
[M]+ 399.13998 199.0
[M]- 399.14108 199.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe