CID 135959518

102688-86-8

Structural Information

Molecular Formula
C18H26N4OS
SMILES
CCCCCN=C1CC(CC2=C1SC3=NC=NC(=C3N2)OC)(C)C
InChI
InChI=1S/C18H26N4OS/c1-5-6-7-8-19-12-9-18(2,3)10-13-15(12)24-17-14(22-13)16(23-4)20-11-21-17/h11,22H,5-10H2,1-4H3
InChIKey
FRWZOPGIBLHTEU-UHFFFAOYSA-N
Compound name
4-methoxy-7,7-dimethyl-N-pentyl-6,8-dihydro-5H-pyrimido[4,5-b][1,4]benzothiazin-9-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.18274 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19002 183.5
[M+Na]+ 369.17196 195.5
[M+NH4]+ 364.21656 192.5
[M+K]+ 385.14590 183.4
[M-H]- 345.17546 185.6
[M+Na-2H]- 367.15741 188.2
[M]+ 346.18219 186.4
[M]- 346.18329 186.4
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.