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 185.2
[M+Na]+ 382.20358 191.9
[M-H]- 358.20708 186.4
[M+NH4]+ 377.24818 198.8
[M+K]+ 398.17752 187.1
[M+H-H2O]+ 342.21162 176.2
[M+HCOO]- 404.21256 194.9
[M+CH3COO]- 418.22821 226.2
[M+Na-2H]- 380.18903 187.5
[M]+ 359.21381 187.4
[M]- 359.21491 187.4
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.