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
4
Annotation Hits

10
References

1777
Patents

289.12488 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.132156 168.1
[M+Na]+ 312.114098 174.8
[M-H]- 288.117604 173.4
[M+NH4]+ 307.158703 186.1
[M+K]+ 328.088038 171.4
[M+H-H2O]+ 272.122140 161.0
[M+HCOO]- 334.123081 182.7
[M+CH3COO]- 348.138731 178.9
[M+Na-2H]- 310.099546 165.7
[M]+ 289.12433142 168.6
[M]- 289.12542858 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

patents stripe