CID 5276792

Schembl13329956

Structural Information

Molecular Formula
C30H50N4
SMILES
CCCCCCCCCCCCNC1=NC(=NC(=C1)C2=CC=CC=C2)NCCCCCCCC
InChI
InChI=1S/C30H50N4/c1-3-5-7-9-11-12-13-14-16-20-24-31-29-26-28(27-22-18-17-19-23-27)33-30(34-29)32-25-21-15-10-8-6-4-2/h17-19,22-23,26H,3-16,20-21,24-25H2,1-2H3,(H2,31,32,33,34)
InChIKey
XJGLSABHTTVSAZ-UHFFFAOYSA-N
Compound name
4-N-dodecyl-2-N-octyl-6-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

466.40353 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.41081 224.7
[M+Na]+ 489.39275 224.2
[M-H]- 465.39625 225.3
[M+NH4]+ 484.43735 229.5
[M+K]+ 505.36669 216.0
[M+H-H2O]+ 449.40079 211.6
[M+HCOO]- 511.40173 242.9
[M+CH3COO]- 525.41738 246.7
[M+Na-2H]- 487.37820 224.1
[M]+ 466.40298 229.6
[M]- 466.40408 229.6
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