CID 722343

N-(1,3-benzothiazol-2-yl)-4-tert-butylbenzamide

Structural Information

Molecular Formula
C18H18N2OS
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C18H18N2OS/c1-18(2,3)13-10-8-12(9-11-13)16(21)20-17-19-14-6-4-5-7-15(14)22-17/h4-11H,1-3H3,(H,19,20,21)
InChIKey
PQEMVWNERIBJJT-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-4-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

310.11398 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12126 172.6
[M+Na]+ 333.10320 186.2
[M+NH4]+ 328.14780 181.4
[M+K]+ 349.07714 178.5
[M-H]- 309.10670 177.1
[M+Na-2H]- 331.08865 180.9
[M]+ 310.11343 176.5
[M]- 310.11453 176.5
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

patents stripe