CID 5276776

Schembl13329935

Structural Information

Molecular Formula
C26H51N5
SMILES
CCCCCCCCNC1=NC(=C(C(=N1)NCCCN(CC)CC)CCCCCC)C
InChI
InChI=1S/C26H51N5/c1-6-10-12-14-15-17-20-28-26-29-23(5)24(19-16-13-11-7-2)25(30-26)27-21-18-22-31(8-3)9-4/h6-22H2,1-5H3,(H2,27,28,29,30)
InChIKey
ORRJEVBRIHZKDZ-UHFFFAOYSA-N
Compound name
4-N-[3-(diethylamino)propyl]-5-hexyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

433.41446 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.42174 219.6
[M+Na]+ 456.40368 220.0
[M-H]- 432.40718 219.4
[M+NH4]+ 451.44828 227.1
[M+K]+ 472.37762 215.1
[M+H-H2O]+ 416.41172 208.0
[M+HCOO]- 478.41266 239.3
[M+CH3COO]- 492.42831 249.0
[M+Na-2H]- 454.38913 217.3
[M]+ 433.41391 226.9
[M]- 433.41501 226.9
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