CID 5276778

N4-dodecyl-n2-octyl-6-propyl-pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C27H52N4
SMILES
CCCCCCCCCCCCNC1=NC(=NC(=C1)CCC)NCCCCCCCC
InChI
InChI=1S/C27H52N4/c1-4-7-9-11-13-14-15-16-18-19-22-28-26-24-25(21-6-3)30-27(31-26)29-23-20-17-12-10-8-5-2/h24H,4-23H2,1-3H3,(H2,28,29,30,31)
InChIKey
ISUAZMRWEKWZJZ-UHFFFAOYSA-N
Compound name
4-N-dodecyl-2-N-octyl-6-propylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.4192 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.42648 218.7
[M+Na]+ 455.40842 218.3
[M-H]- 431.41192 216.3
[M+NH4]+ 450.45302 225.5
[M+K]+ 471.38236 211.6
[M+H-H2O]+ 415.41646 207.1
[M+HCOO]- 477.41740 236.5
[M+CH3COO]- 491.43305 242.5
[M+Na-2H]- 453.39387 216.9
[M]+ 432.41865 225.4
[M]- 432.41975 225.4
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.