CID 24845119

103291-33-4

Structural Information

Molecular Formula
C17H25N5S
SMILES
CCCCN(C)C1=C2C(=NC=N1)SC3=C(CC(CC3=N2)(C)C)N
InChI
InChI=1S/C17H25N5S/c1-5-6-7-22(4)15-13-16(20-10-19-15)23-14-11(18)8-17(2,3)9-12(14)21-13/h10H,5-9,18H2,1-4H3
InChIKey
ZTVXUZUPRWGGNW-UHFFFAOYSA-N
Compound name
4-N-butyl-4-N,7,7-trimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.18307 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.19035 176.8
[M+Na]+ 354.17229 184.7
[M-H]- 330.17579 178.3
[M+NH4]+ 349.21689 191.6
[M+K]+ 370.14623 179.8
[M+H-H2O]+ 314.18033 167.8
[M+HCOO]- 376.18127 188.2
[M+CH3COO]- 390.19692 186.0
[M+Na-2H]- 352.15774 180.9
[M]+ 331.18252 178.9
[M]- 331.18362 178.9
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.