CID 5276749

Schembl13329945

Structural Information

Molecular Formula
C21H40N4
SMILES
CCCCCCCCNC1=NC(=NC(=C1)C)NCCCCCCCC
InChI
InChI=1S/C21H40N4/c1-4-6-8-10-12-14-16-22-20-18-19(3)24-21(25-20)23-17-15-13-11-9-7-5-2/h18H,4-17H2,1-3H3,(H2,22,23,24,25)
InChIKey
NAUTXOLSRRSMSK-UHFFFAOYSA-N
Compound name
6-methyl-2-N,4-N-dioctylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

348.3253 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.33258 193.6
[M+Na]+ 371.31452 195.9
[M-H]- 347.31802 192.4
[M+NH4]+ 366.35912 204.0
[M+K]+ 387.28846 190.6
[M+H-H2O]+ 331.32256 183.2
[M+HCOO]- 393.32350 213.5
[M+CH3COO]- 407.33915 224.8
[M+Na-2H]- 369.29997 194.9
[M]+ 348.32475 198.1
[M]- 348.32585 198.1
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