CID 5276787

Schembl13329947

Structural Information

Molecular Formula
C20H30N4
SMILES
CCCCCCCCNC1=NC(=CC(=N1)NCC2=CC=CC=C2)C
InChI
InChI=1S/C20H30N4/c1-3-4-5-6-7-11-14-21-20-23-17(2)15-19(24-20)22-16-18-12-9-8-10-13-18/h8-10,12-13,15H,3-7,11,14,16H2,1-2H3,(H2,21,22,23,24)
InChIKey
PUYPUNLXTHDDRP-UHFFFAOYSA-N
Compound name
4-N-benzyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.24704 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.25432 182.7
[M+Na]+ 349.23626 186.8
[M-H]- 325.23976 185.4
[M+NH4]+ 344.28086 193.4
[M+K]+ 365.21020 180.8
[M+H-H2O]+ 309.24430 171.8
[M+HCOO]- 371.24524 204.4
[M+CH3COO]- 385.26089 217.4
[M+Na-2H]- 347.22171 187.2
[M]+ 326.24649 184.2
[M]- 326.24759 184.2
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

No patent data available for this compound.