CID 341631

81762-52-9

Structural Information

Molecular Formula
C16H11N3OS
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C16H11N3OS/c1-10-17-12-7-3-2-6-11(12)15(20)19(10)16-18-13-8-4-5-9-14(13)21-16/h2-9H,1H3
InChIKey
AHWGBQAWNSSZLP-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0623 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06958 165.1
[M+Na]+ 316.05152 179.3
[M-H]- 292.05502 171.5
[M+NH4]+ 311.09612 181.6
[M+K]+ 332.02546 172.3
[M+H-H2O]+ 276.05956 156.9
[M+HCOO]- 338.06050 182.2
[M+CH3COO]- 352.07615 178.0
[M+Na-2H]- 314.03697 170.3
[M]+ 293.06175 170.9
[M]- 293.06285 170.9
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

No patent data available for this compound.