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 184.9
[M+Na]+ 382.20358 191.2
[M-H]- 358.20708 186.1
[M+NH4]+ 377.24818 198.7
[M+K]+ 398.17752 185.8
[M+H-H2O]+ 342.21162 175.6
[M+HCOO]- 404.21256 195.0
[M+CH3COO]- 418.22821 224.9
[M+Na-2H]- 380.18903 188.1
[M]+ 359.21381 186.4
[M]- 359.21491 186.4
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.