CID 5276756

2,4-pyrimidinediamine, 6-methyl-n4-octyl-n2-phenyl-5-propyl-

Structural Information

Molecular Formula
C22H34N4
SMILES
CCCCCCCCNC1=NC(=NC(=C1CCC)C)NC2=CC=CC=C2
InChI
InChI=1S/C22H34N4/c1-4-6-7-8-9-13-17-23-21-20(14-5-2)18(3)24-22(26-21)25-19-15-11-10-12-16-19/h10-12,15-16H,4-9,13-14,17H2,1-3H3,(H2,23,24,25,26)
InChIKey
NTTNFPGHHMPDAP-UHFFFAOYSA-N
Compound name
6-methyl-4-N-octyl-2-N-phenyl-5-propylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.27835 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.28563 192.3
[M+Na]+ 377.26757 196.4
[M-H]- 353.27107 195.1
[M+NH4]+ 372.31217 202.2
[M+K]+ 393.24151 190.0
[M+H-H2O]+ 337.27561 181.2
[M+HCOO]- 399.27655 213.3
[M+CH3COO]- 413.29220 224.5
[M+Na-2H]- 375.25302 195.0
[M]+ 354.27780 194.9
[M]- 354.27890 194.9
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.