CID 692017

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide

Structural Information

Molecular Formula
C20H15N3OS
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4
InChI
InChI=1S/C20H15N3OS/c1-13-4-9-17-18(11-13)25-20(23-17)14-5-7-16(8-6-14)22-19(24)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,24)
InChIKey
NSWIVPBSYOFHRV-UHFFFAOYSA-N
Compound name
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

345.0936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10088 179.6
[M+Na]+ 368.08282 189.9
[M-H]- 344.08632 188.8
[M+NH4]+ 363.12742 193.3
[M+K]+ 384.05676 182.7
[M+H-H2O]+ 328.09086 170.5
[M+HCOO]- 390.09180 198.3
[M+CH3COO]- 404.10745 190.9
[M+Na-2H]- 366.06827 183.1
[M]+ 345.09305 183.2
[M]- 345.09415 183.2
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