CID 3540396

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Structural Information

Molecular Formula
C14H14N2OS
SMILES
C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H14N2OS/c17-13(10-6-2-1-3-7-10)16-14-15-11-8-4-5-9-12(11)18-14/h1-3,6-7H,4-5,8-9H2,(H,15,16,17)
InChIKey
ABEJUGHRZYBBIP-UHFFFAOYSA-N
Compound name
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

258.08267 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08995 156.0
[M+Na]+ 281.07189 162.7
[M-H]- 257.07539 162.0
[M+NH4]+ 276.11649 174.3
[M+K]+ 297.04583 158.3
[M+H-H2O]+ 241.07993 148.8
[M+HCOO]- 303.08087 172.4
[M+CH3COO]- 317.09652 167.5
[M+Na-2H]- 279.05734 158.6
[M]+ 258.08212 154.7
[M]- 258.08322 154.7
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