CID 5276789

Schembl13329951

Structural Information

Molecular Formula
C16H30N4
SMILES
CCCCCCCCNC1=NC(=CC(=N1)NCCC)C
InChI
InChI=1S/C16H30N4/c1-4-6-7-8-9-10-12-18-16-19-14(3)13-15(20-16)17-11-5-2/h13H,4-12H2,1-3H3,(H2,17,18,19,20)
InChIKey
GDKCVUNXEYFCMQ-UHFFFAOYSA-N
Compound name
6-methyl-2-N-octyl-4-N-propylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.24704 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.25432 172.1
[M+Na]+ 301.23626 176.6
[M-H]- 277.23976 171.9
[M+NH4]+ 296.28086 185.4
[M+K]+ 317.21020 172.5
[M+H-H2O]+ 261.24430 162.7
[M+HCOO]- 323.24524 193.7
[M+CH3COO]- 337.26089 209.9
[M+Na-2H]- 299.22171 175.9
[M]+ 278.24649 174.8
[M]- 278.24759 174.8
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