CID 43616652

N-(benzo[d]thiazol-2-ylmethyl)acrylamide

Structural Information

Molecular Formula
C11H10N2OS
SMILES
C=CC(=O)NCC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C11H10N2OS/c1-2-10(14)12-7-11-13-8-5-3-4-6-9(8)15-11/h2-6H,1,7H2,(H,12,14)
InChIKey
ZHRZQFIQEDGZRE-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-ylmethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.05139 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 145.5
[M+Na]+ 241.04061 155.5
[M-H]- 217.04411 149.6
[M+NH4]+ 236.08521 166.2
[M+K]+ 257.01455 151.1
[M+H-H2O]+ 201.04865 139.3
[M+HCOO]- 263.04959 165.8
[M+CH3COO]- 277.06524 187.3
[M+Na-2H]- 239.02606 149.9
[M]+ 218.05084 149.2
[M]- 218.05194 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe