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 184.4
[M+Na]+ 368.15154 192.0
[M-H]- 344.15504 183.4
[M+NH4]+ 363.19614 194.6
[M+K]+ 384.12548 184.9
[M+H-H2O]+ 328.15958 173.8
[M+HCOO]- 390.16052 185.9
[M+CH3COO]- 404.17617 190.9
[M+Na-2H]- 366.13699 185.4
[M]+ 345.16177 179.6
[M]- 345.16287 179.6
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.