CID 5276786

Schembl13329876

Structural Information

Molecular Formula
C17H30N4
SMILES
CCCCCCCCNC1=NC(=CC(=N1)N2CCCC2)C
InChI
InChI=1S/C17H30N4/c1-3-4-5-6-7-8-11-18-17-19-15(2)14-16(20-17)21-12-9-10-13-21/h14H,3-13H2,1-2H3,(H,18,19,20)
InChIKey
FFQMQUIXYZFHPH-UHFFFAOYSA-N
Compound name
4-methyl-N-octyl-6-pyrrolidin-1-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

290.24704 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.25432 174.3
[M+Na]+ 313.23626 178.4
[M-H]- 289.23976 175.6
[M+NH4]+ 308.28086 187.3
[M+K]+ 329.21020 173.9
[M+H-H2O]+ 273.24430 163.7
[M+HCOO]- 335.24524 192.6
[M+CH3COO]- 349.26089 206.8
[M+Na-2H]- 311.22171 175.1
[M]+ 290.24649 173.9
[M]- 290.24759 173.9
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

patents stripe