CID 5276785

Schembl13329946

Structural Information

Molecular Formula
C25H48N4
SMILES
CCCCCCCCCCCCNC1=NC(=NC(=C1)C)NCCCCCCCC
InChI
InChI=1S/C25H48N4/c1-4-6-8-10-12-13-14-15-17-18-20-26-24-22-23(3)28-25(29-24)27-21-19-16-11-9-7-5-2/h22H,4-21H2,1-3H3,(H2,26,27,28,29)
InChIKey
JQBMXIZEJZXVFH-UHFFFAOYSA-N
Compound name
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

404.3879 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.39518 210.4
[M+Na]+ 427.37712 210.9
[M-H]- 403.38062 208.4
[M+NH4]+ 422.42172 218.4
[M+K]+ 443.35106 204.7
[M+H-H2O]+ 387.38516 199.2
[M+HCOO]- 449.38610 228.9
[M+CH3COO]- 463.40175 236.6
[M+Na-2H]- 425.36257 209.7
[M]+ 404.38735 216.4
[M]- 404.38845 216.4
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