CID 3010837

Us-06288091

Structural Information

Molecular Formula
C19H19N3OS
SMILES
CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CNCC3=CC=CC=C3
InChI
InChI=1S/C19H19N3OS/c1-14-21-18(13-24-14)16-7-9-17(10-8-16)22-19(23)12-20-11-15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3,(H,22,23)
InChIKey
QXSDECRSKVXCDI-UHFFFAOYSA-N
Compound name
2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.12488 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13216 178.3
[M+Na]+ 360.11410 184.7
[M-H]- 336.11760 186.9
[M+NH4]+ 355.15870 192.0
[M+K]+ 376.08804 178.5
[M+H-H2O]+ 320.12214 169.1
[M+HCOO]- 382.12308 198.4
[M+CH3COO]- 396.13873 188.8
[M+Na-2H]- 358.09955 179.7
[M]+ 337.12433 179.7
[M]- 337.12543 179.7
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

No patent data available for this compound.