CID 135959520

103291-41-4

Structural Information

Molecular Formula
C17H25N5S
SMILES
CC(C)N(C)C1=C2C(=NC=N1)SC3=C(N2)CC(CC3=NC)(C)C
InChI
InChI=1S/C17H25N5S/c1-10(2)22(6)15-13-16(20-9-19-15)23-14-11(18-5)7-17(3,4)8-12(14)21-13/h9-10,21H,7-8H2,1-6H3
InChIKey
PGHSEQNLJUXLMG-UHFFFAOYSA-N
Compound name
N,7,7-trimethyl-9-methylimino-N-propan-2-yl-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

331.18307 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.19035 176.6
[M+Na]+ 354.17229 183.5
[M-H]- 330.17579 178.3
[M+NH4]+ 349.21689 191.5
[M+K]+ 370.14623 179.1
[M+H-H2O]+ 314.18033 168.0
[M+HCOO]- 376.18127 186.3
[M+CH3COO]- 390.19692 185.5
[M+Na-2H]- 352.15774 179.8
[M]+ 331.18252 176.9
[M]- 331.18362 176.9
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.