CID 5276772

Chembl4060203

Structural Information

Molecular Formula
C19H36N4
SMILES
CCCCCCCCCCCCNC1=NC(=NC(=C1)C)N(C)C
InChI
InChI=1S/C19H36N4/c1-5-6-7-8-9-10-11-12-13-14-15-20-18-16-17(2)21-19(22-18)23(3)4/h16H,5-15H2,1-4H3,(H,20,21,22)
InChIKey
XAEQWRPTDSXXKP-UHFFFAOYSA-N
Compound name
4-N-dodecyl-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

320.294 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.30128 186.0
[M+Na]+ 343.28322 189.5
[M-H]- 319.28672 186.8
[M+NH4]+ 338.32782 198.3
[M+K]+ 359.25716 186.0
[M+H-H2O]+ 303.29126 175.9
[M+HCOO]- 365.29220 207.1
[M+CH3COO]- 379.30785 222.2
[M+Na-2H]- 341.26867 187.5
[M]+ 320.29345 191.1
[M]- 320.29455 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe