CID 24845123

103291-29-8

Structural Information

Molecular Formula
C18H27N5S
SMILES
CCCCCCNC1=C2C(=NC=N1)SC3=C(CC(CC3=N2)(C)C)N
InChI
InChI=1S/C18H27N5S/c1-4-5-6-7-8-20-16-14-17(22-11-21-16)24-15-12(19)9-18(2,3)10-13(15)23-14/h11H,4-10,19H2,1-3H3,(H,20,21,22)
InChIKey
SYAYUYSGTIFSIY-UHFFFAOYSA-N
Compound name
4-N-hexyl-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

345.19873 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20601 181.7
[M+Na]+ 368.18795 193.5
[M+NH4]+ 363.23255 190.9
[M+K]+ 384.16189 181.5
[M-H]- 344.19145 184.8
[M+Na-2H]- 366.17340 187.1
[M]+ 345.19818 184.8
[M]- 345.19928 184.8
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.