CID 127041976

Chembl3764292

Structural Information

Molecular Formula
C14H11BrN4OS
SMILES
CC1=C(N2C=CSC2=N1)C(=O)N/N=C/C3=CC=C(C=C3)Br
InChI
InChI=1S/C14H11BrN4OS/c1-9-12(19-6-7-21-14(19)17-9)13(20)18-16-8-10-2-4-11(15)5-3-10/h2-8H,1H3,(H,18,20)/b16-8+
InChIKey
PBUPLCOMEUCBDV-LZYBPNLTSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.9837 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.99098 166.6
[M+Na]+ 384.97292 181.0
[M-H]- 360.97642 177.3
[M+NH4]+ 380.01752 186.4
[M+K]+ 400.94686 168.6
[M+H-H2O]+ 344.98096 165.4
[M+HCOO]- 406.98190 187.4
[M+CH3COO]- 420.99755 181.6
[M+Na-2H]- 382.95837 170.9
[M]+ 361.98315 190.5
[M]- 361.98425 190.5
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.