CID 341425

81762-59-6

Structural Information

Molecular Formula
C17H13N3O2S
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=NC4=C(C=CC=C4S3)OC
InChI
InChI=1S/C17H13N3O2S/c1-10-18-12-7-4-3-6-11(12)16(21)20(10)17-19-15-13(22-2)8-5-9-14(15)23-17/h3-9H,1-2H3
InChIKey
SBHZQFWKHMGMJI-UHFFFAOYSA-N
Compound name
3-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07285 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08013 173.6
[M+Na]+ 346.06207 187.8
[M-H]- 322.06557 180.1
[M+NH4]+ 341.10667 189.0
[M+K]+ 362.03601 181.2
[M+H-H2O]+ 306.07011 165.2
[M+HCOO]- 368.07105 190.4
[M+CH3COO]- 382.08670 186.1
[M+Na-2H]- 344.04752 177.7
[M]+ 323.07230 181.5
[M]- 323.07340 181.5
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.