CID 5277371

Chembl43517

Structural Information

Molecular Formula
C18H20N4O2S
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)SC(C(=N2)C3=CC=CC=C3)(C)C)N
InChI
InChI=1S/C18H20N4O2S/c1-4-24-17(23)21-13-10-12-14(16(19)20-13)22-15(18(2,3)25-12)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H3,19,20,21,23)
InChIKey
RBSYHBRUVVOWDG-UHFFFAOYSA-N
Compound name
ethyl N-(5-amino-2,2-dimethyl-3-phenylpyrido[4,3-b][1,4]thiazin-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

356.1307 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13798 181.9
[M+Na]+ 379.11992 190.0
[M-H]- 355.12342 186.4
[M+NH4]+ 374.16452 195.0
[M+K]+ 395.09386 184.6
[M+H-H2O]+ 339.12796 173.0
[M+HCOO]- 401.12890 196.5
[M+CH3COO]- 415.14455 191.4
[M+Na-2H]- 377.10537 185.7
[M]+ 356.13015 184.0
[M]- 356.13125 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe