CID 5276782

Schembl13329942

Structural Information

Molecular Formula
C23H44N4
SMILES
CCCCCCCCNC1=NC(=CC(=N1)N(CCCC)CCCC)CCC
InChI
InChI=1S/C23H44N4/c1-5-9-12-13-14-15-17-24-23-25-21(16-8-4)20-22(26-23)27(18-10-6-2)19-11-7-3/h20H,5-19H2,1-4H3,(H,24,25,26)
InChIKey
UNENELOAAIJKBY-UHFFFAOYSA-N
Compound name
4-N,4-N-dibutyl-2-N-octyl-6-propylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

376.3566 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.36388 203.4
[M+Na]+ 399.34582 205.1
[M-H]- 375.34932 203.4
[M+NH4]+ 394.39042 213.3
[M+K]+ 415.31976 200.7
[M+H-H2O]+ 359.35386 192.5
[M+HCOO]- 421.35480 223.1
[M+CH3COO]- 435.37045 234.0
[M+Na-2H]- 397.33127 202.9
[M]+ 376.35605 210.0
[M]- 376.35715 210.0
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