CID 5276753

Schembl13329887

Structural Information

Molecular Formula
C21H30N4
SMILES
CCCCCCC1=C(N=C(N=C1N2CCCC2)NC3=CC=CC=C3)C
InChI
InChI=1S/C21H30N4/c1-3-4-5-9-14-19-17(2)22-21(23-18-12-7-6-8-13-18)24-20(19)25-15-10-11-16-25/h6-8,12-13H,3-5,9-11,14-16H2,1-2H3,(H,22,23,24)
InChIKey
BVJZDQREBJATHO-UHFFFAOYSA-N
Compound name
5-hexyl-4-methyl-N-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

338.24704 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25432 185.6
[M+Na]+ 361.23626 190.2
[M-H]- 337.23976 190.3
[M+NH4]+ 356.28086 196.3
[M+K]+ 377.21020 183.8
[M+H-H2O]+ 321.24430 173.8
[M+HCOO]- 383.24524 203.8
[M+CH3COO]- 397.26089 215.5
[M+Na-2H]- 359.22171 185.9
[M]+ 338.24649 184.3
[M]- 338.24759 184.3
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

No patent data available for this compound.