CID 24845117

103291-28-7

Structural Information

Molecular Formula
C16H23N5S
SMILES
CCCCNC1=C2C(=NC=N1)SC3=C(CC(CC3=N2)(C)C)N
InChI
InChI=1S/C16H23N5S/c1-4-5-6-18-14-12-15(20-9-19-14)22-13-10(17)7-16(2,3)8-11(13)21-12/h9H,4-8,17H2,1-3H3,(H,18,19,20)
InChIKey
DGXZGNHJRBWACZ-UHFFFAOYSA-N
Compound name
4-N-butyl-7,7-dimethyl-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

317.16742 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17470 171.9
[M+Na]+ 340.15664 180.3
[M-H]- 316.16014 172.2
[M+NH4]+ 335.20124 186.7
[M+K]+ 356.13058 174.1
[M+H-H2O]+ 300.16468 163.4
[M+HCOO]- 362.16562 183.2
[M+CH3COO]- 376.18127 181.1
[M+Na-2H]- 338.14209 177.2
[M]+ 317.16687 172.5
[M]- 317.16797 172.5
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.