CID 326365

Nsc297576

Structural Information

Molecular Formula
C13H12N2OS
SMILES
CC1=CC2=C(C=C1C)N3C(=O)C=C(SC3=N2)C
InChI
InChI=1S/C13H12N2OS/c1-7-4-10-11(5-8(7)2)15-12(16)6-9(3)17-13(15)14-10/h4-6H,1-3H3
InChIKey
WZYIRPFFORPYMU-UHFFFAOYSA-N
Compound name
2,7,8-trimethyl-[1,3]thiazino[3,2-a]benzimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.06703 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07431 151.3
[M+Na]+ 267.05625 166.3
[M-H]- 243.05975 156.3
[M+NH4]+ 262.10085 172.2
[M+K]+ 283.03019 160.9
[M+H-H2O]+ 227.06429 145.4
[M+HCOO]- 289.06523 169.3
[M+CH3COO]- 303.08088 165.9
[M+Na-2H]- 265.04170 155.3
[M]+ 244.06648 158.8
[M]- 244.06758 158.8
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.