CID 5276791

Schembl13329955

Structural Information

Molecular Formula
C26H42N4
SMILES
CCCCCCCCNC1=NC(=NC(=C1)C2=CC=CC=C2)NCCCCCCCC
InChI
InChI=1S/C26H42N4/c1-3-5-7-9-11-16-20-27-25-22-24(23-18-14-13-15-19-23)29-26(30-25)28-21-17-12-10-8-6-4-2/h13-15,18-19,22H,3-12,16-17,20-21H2,1-2H3,(H2,27,28,29,30)
InChIKey
GRWFXAPMIWLKHJ-UHFFFAOYSA-N
Compound name
2-N,4-N-dioctyl-6-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

410.34094 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.34822 208.2
[M+Na]+ 433.33016 209.5
[M-H]- 409.33366 209.7
[M+NH4]+ 428.37476 215.3
[M+K]+ 449.30410 202.2
[M+H-H2O]+ 393.33820 195.9
[M+HCOO]- 455.33914 227.7
[M+CH3COO]- 469.35479 235.1
[M+Na-2H]- 431.31561 209.6
[M]+ 410.34039 211.7
[M]- 410.34149 211.7
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