CID 708647

N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

Structural Information

Molecular Formula
C18H12N2OS
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C18H12N2OS/c21-17(14-9-5-7-12-6-1-2-8-13(12)14)20-18-19-15-10-3-4-11-16(15)22-18/h1-11H,(H,19,20,21)
InChIKey
BYQDINPOEPAMNO-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

304.06705 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07433 165.8
[M+Na]+ 327.05627 181.8
[M+NH4]+ 322.10087 176.1
[M+K]+ 343.03021 172.3
[M-H]- 303.05977 172.2
[M+Na-2H]- 325.04172 175.7
[M]+ 304.06650 170.6
[M]- 304.06760 170.6
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