CID 136160615

103291-32-3

Structural Information

Molecular Formula
C16H23N5S
SMILES
CC(C)N=C1CC(CC2=C1SC3=NC=NC(=C3N2)NC)(C)C
InChI
InChI=1S/C16H23N5S/c1-9(2)20-10-6-16(3,4)7-11-13(10)22-15-12(21-11)14(17-5)18-8-19-15/h8-9,21H,6-7H2,1-5H3,(H,17,18,19)
InChIKey
HZVXMLVLFBPESK-UHFFFAOYSA-N
Compound name
N,7,7-trimethyl-9-propan-2-ylimino-6,8-dihydro-5H-pyrimido[4,5-b][1,4]benzothiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16742 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17470 173.6
[M+Na]+ 340.15664 184.8
[M+NH4]+ 335.20124 182.8
[M+K]+ 356.13058 174.0
[M-H]- 316.16014 176.2
[M+Na-2H]- 338.14209 178.7
[M]+ 317.16687 176.4
[M]- 317.16797 176.4
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.