CID 5276783

Schembl13329943

Structural Information

Molecular Formula
C18H34N4
SMILES
CCCCCCCCNC1=NC(=CC(=N1)NCCC)CCC
InChI
InChI=1S/C18H34N4/c1-4-7-8-9-10-11-14-20-18-21-16(12-5-2)15-17(22-18)19-13-6-3/h15H,4-14H2,1-3H3,(H2,19,20,21,22)
InChIKey
XYFPMGVGSYPWDL-UHFFFAOYSA-N
Compound name
2-N-octyl-4-N,6-dipropylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.27835 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.28563 180.7
[M+Na]+ 329.26757 184.4
[M-H]- 305.27107 180.2
[M+NH4]+ 324.31217 192.9
[M+K]+ 345.24151 179.8
[M+H-H2O]+ 289.27561 171.0
[M+HCOO]- 351.27655 201.7
[M+CH3COO]- 365.29220 215.9
[M+Na-2H]- 327.25302 183.6
[M]+ 306.27780 184.2
[M]- 306.27890 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

patents stripe