CID 912936

103291-27-6

Structural Information

Molecular Formula
C15H21N5S
SMILES
CC(C)NC1=C2C(=NC=N1)SC3=C(CC(CC3=N2)(C)C)N
InChI
InChI=1S/C15H21N5S/c1-8(2)19-13-11-14(18-7-17-13)21-12-9(16)5-15(3,4)6-10(12)20-11/h7-8H,5-6,16H2,1-4H3,(H,17,18,19)
InChIKey
USOUEOSTRDKSJQ-UHFFFAOYSA-N
Compound name
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

303.15176 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15904 168.1
[M+Na]+ 326.14098 176.7
[M-H]- 302.14448 168.8
[M+NH4]+ 321.18558 183.5
[M+K]+ 342.11492 171.3
[M+H-H2O]+ 286.14902 160.1
[M+HCOO]- 348.14996 178.8
[M+CH3COO]- 362.16561 177.7
[M+Na-2H]- 324.12643 173.0
[M]+ 303.15121 167.9
[M]- 303.15231 167.9
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.