CID 135951888

103291-42-5

Structural Information

Molecular Formula
C18H27N5S
SMILES
CCCCN=C1CC(CC2=C1SC3=NC=NC(=C3N2)N(C)C)(C)C
InChI
InChI=1S/C18H27N5S/c1-6-7-8-19-12-9-18(2,3)10-13-15(12)24-17-14(22-13)16(23(4)5)20-11-21-17/h11,22H,6-10H2,1-5H3
InChIKey
CYTADOABCFNWMA-UHFFFAOYSA-N
Compound name
9-butylimino-N,N,7,7-tetramethyl-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

345.19873 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20601 182.4
[M+Na]+ 368.18795 193.7
[M+NH4]+ 363.23255 191.6
[M+K]+ 384.16189 182.2
[M-H]- 344.19145 185.4
[M+Na-2H]- 366.17340 187.6
[M]+ 345.19818 185.4
[M]- 345.19928 185.4
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.