CID 828045

43205-00-1

Structural Information

Molecular Formula
C12H9NOS
SMILES
CC1=NC2=C(S1)C=C(C3=CC=CC=C32)O
InChI
InChI=1S/C12H9NOS/c1-7-13-12-9-5-3-2-4-8(9)10(14)6-11(12)15-7/h2-6,14H,1H3
InChIKey
XSPCDMNJYXCPDR-UHFFFAOYSA-N
Compound name
2-methylbenzo[e][1,3]benzothiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.04048 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04776 142.6
[M+Na]+ 238.02970 158.3
[M+NH4]+ 233.07430 153.3
[M+K]+ 254.00364 150.0
[M-H]- 214.03320 146.1
[M+Na-2H]- 236.01515 149.6
[M]+ 215.03993 146.5
[M]- 215.04103 146.5
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

patents stripe