CID 3067244

80949-15-1

Structural Information

Molecular Formula
C14H21N5S
SMILES
CN(C)C1=C2C(=NC=N1)SCC(=N2)CN3CCCCC3
InChI
InChI=1S/C14H21N5S/c1-18(2)13-12-14(16-10-15-13)20-9-11(17-12)8-19-6-4-3-5-7-19/h10H,3-9H2,1-2H3
InChIKey
FYSOTODGDZBAAY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-6-(piperidin-1-ylmethyl)-7H-pyrimido[4,5-b][1,4]thiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.15176 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15904 166.4
[M+Na]+ 314.14098 172.1
[M-H]- 290.14448 168.6
[M+NH4]+ 309.18558 178.1
[M+K]+ 330.11492 167.7
[M+H-H2O]+ 274.14902 155.9
[M+HCOO]- 336.14996 176.1
[M+CH3COO]- 350.16561 175.2
[M+Na-2H]- 312.12643 169.5
[M]+ 291.15121 164.2
[M]- 291.15231 164.2
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.