CID 13690996

89499-60-5

Structural Information

Molecular Formula
C18H25N5OS
SMILES
CC1(CC2=C(C(=O)C1)SC3=NC=NC(=C3N2C)N4CCN(CC4)C)C
InChI
InChI=1S/C18H25N5OS/c1-18(2)9-12-15(13(24)10-18)25-17-14(22(12)4)16(19-11-20-17)23-7-5-21(3)6-8-23/h11H,5-10H2,1-4H3
InChIKey
XHSPXMKDNOGIOT-UHFFFAOYSA-N
Compound name
5,7,7-trimethyl-4-(4-methylpiperazin-1-yl)-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.17798 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18526 189.2
[M+Na]+ 382.16720 197.6
[M-H]- 358.17070 189.7
[M+NH4]+ 377.21180 199.7
[M+K]+ 398.14114 191.1
[M+H-H2O]+ 342.17524 178.2
[M+HCOO]- 404.17618 191.7
[M+CH3COO]- 418.19183 196.2
[M+Na-2H]- 380.15265 189.3
[M]+ 359.17743 186.8
[M]- 359.17853 186.8
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.