CID 5276767

Schembl13329908

Structural Information

Molecular Formula
C17H30N4
SMILES
CCCCCCC1=C(N=C(N=C1N2CCCC2)N(C)C)C
InChI
InChI=1S/C17H30N4/c1-5-6-7-8-11-15-14(2)18-17(20(3)4)19-16(15)21-12-9-10-13-21/h5-13H2,1-4H3
InChIKey
HXMKYIULMGJJAE-UHFFFAOYSA-N
Compound name
5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.24704 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.25432 175.0
[M+Na]+ 313.23626 180.2
[M-H]- 289.23976 178.2
[M+NH4]+ 308.28086 188.9
[M+K]+ 329.21020 177.0
[M+H-H2O]+ 273.24430 164.6
[M+HCOO]- 335.24524 193.7
[M+CH3COO]- 349.26089 211.4
[M+Na-2H]- 311.22171 174.3
[M]+ 290.24649 176.3
[M]- 290.24759 176.3
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