CID 3069601

Brn 5628130

Structural Information

Molecular Formula
C20H31N5O2
SMILES
COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4CCCCC4)N
InChI
InChI=1S/C20H31N5O2/c1-27-19-17(11-22-20(21)24-19)18(26)23-14-9-15-7-8-16(10-14)25(15)12-13-5-3-2-4-6-13/h11,13-16H,2-10,12H2,1H3,(H,23,26)(H2,21,22,24)
InChIKey
MEBIAQIVZIDVQW-UHFFFAOYSA-N
Compound name
2-amino-N-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.24777 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.25505 189.8
[M+Na]+ 396.23699 191.1
[M-H]- 372.24049 192.6
[M+NH4]+ 391.28159 199.5
[M+K]+ 412.21093 186.4
[M+H-H2O]+ 356.24503 178.8
[M+HCOO]- 418.24597 200.7
[M+CH3COO]- 432.26162 195.8
[M+Na-2H]- 394.22244 187.9
[M]+ 373.24722 182.2
[M]- 373.24832 182.2
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.