CID 76964745

Butamisole

Structural Information

Molecular Formula
C15H19N3OS
SMILES
CC(C)C(=O)NC1=CC=CC(=C1)[C@H]2CN3CCSC3=N2
InChI
InChI=1S/C15H19N3OS/c1-10(2)14(19)16-12-5-3-4-11(8-12)13-9-18-6-7-20-15(18)17-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKey
YWDWYOALXURQPZ-CYBMUJFWSA-N
Compound name
2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

1531
Patents

289.12488 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13216 166.3
[M+Na]+ 312.11410 175.5
[M+NH4]+ 307.15870 174.4
[M+K]+ 328.08804 171.5
[M-H]- 288.11760 169.0
[M+Na-2H]- 310.09955 170.3
[M]+ 289.12433 168.6
[M]- 289.12543 168.6
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.