CID 24845115

103291-38-9

Structural Information

Molecular Formula
C19H29N5S
SMILES
CCCCN(C1=C2C(=NC=N1)SC3=C(CC(CC3=N2)(C)C)N)C(C)C
InChI
InChI=1S/C19H29N5S/c1-6-7-8-24(12(2)3)17-15-18(22-11-21-17)25-16-13(20)9-19(4,5)10-14(16)23-15/h11-12H,6-10,20H2,1-5H3
InChIKey
YRBVQMHGCVYDHJ-UHFFFAOYSA-N
Compound name
4-N-butyl-7,7-dimethyl-4-N-propan-2-yl-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

359.21436 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.22164 185.8
[M+Na]+ 382.20358 197.1
[M+NH4]+ 377.24818 194.9
[M+K]+ 398.17752 186.3
[M-H]- 358.20708 188.9
[M+Na-2H]- 380.18903 191.0
[M]+ 359.21381 188.9
[M]- 359.21491 188.9
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.