CID 5271336

Chembl30938

Structural Information

Molecular Formula
C19H25N5O2
SMILES
COC1=CC(=CC(=C1)N2C3CCC2CC(C3)C4=CN=C(N=C4N)N)OC
InChI
InChI=1S/C19H25N5O2/c1-25-15-7-14(8-16(9-15)26-2)24-12-3-4-13(24)6-11(5-12)17-10-22-19(21)23-18(17)20/h7-13H,3-6H2,1-2H3,(H4,20,21,22,23)
InChIKey
JGPAZLDJBCRUKN-UHFFFAOYSA-N
Compound name
5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

355.20084 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20812 186.1
[M+Na]+ 378.19006 192.8
[M-H]- 354.19356 190.6
[M+NH4]+ 373.23466 197.3
[M+K]+ 394.16400 187.4
[M+H-H2O]+ 338.19810 175.6
[M+HCOO]- 400.19904 201.8
[M+CH3COO]- 414.21469 194.6
[M+Na-2H]- 376.17551 186.2
[M]+ 355.20029 183.7
[M]- 355.20139 183.7
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.