CID 15917963

89499-58-1

Structural Information

Molecular Formula
C17H23N5OS
SMILES
CC1(CC2=C(C(=O)C1)SC3=NC=NC(=C3N2)N4CCN(CC4)C)C
InChI
InChI=1S/C17H23N5OS/c1-17(2)8-11-14(12(23)9-17)24-16-13(20-11)15(18-10-19-16)22-6-4-21(3)5-7-22/h10,20H,4-9H2,1-3H3
InChIKey
GOUVKBQHSNKLAW-UHFFFAOYSA-N
Compound name
7,7-dimethyl-4-(4-methylpiperazin-1-yl)-6,8-dihydro-5H-pyrimido[4,5-b][1,4]benzothiazin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.16232 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16960 183.7
[M+Na]+ 368.15154 196.8
[M+NH4]+ 363.19614 192.3
[M+K]+ 384.12548 185.7
[M-H]- 344.15504 185.8
[M+Na-2H]- 366.13699 188.3
[M]+ 345.16177 186.7
[M]- 345.16287 186.7
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.