CID 135951890

103291-43-6

Structural Information

Molecular Formula
C19H29N5S
SMILES
CCCCCN=C1CC(CC2=C1SC3=NC=NC(=C3N2)N(C)C)(C)C
InChI
InChI=1S/C19H29N5S/c1-6-7-8-9-20-13-10-19(2,3)11-14-16(13)25-18-15(23-14)17(24(4)5)21-12-22-18/h12,23H,6-11H2,1-5H3
InChIKey
BPYOOSWIIXQOQD-UHFFFAOYSA-N
Compound name
N,N,7,7-tetramethyl-9-pentylimino-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

359.21436 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.22164 186.6
[M+Na]+ 382.20358 197.7
[M+NH4]+ 377.24818 195.7
[M+K]+ 398.17752 186.0
[M-H]- 358.20708 189.7
[M+Na-2H]- 380.18903 191.6
[M]+ 359.21381 189.6
[M]- 359.21491 189.6
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.