CID 5276768

Schembl13329909

Structural Information

Molecular Formula
C17H32N4
SMILES
CCCCCCCCNC1=NC(=NC(=C1)CCC)N(C)C
InChI
InChI=1S/C17H32N4/c1-5-7-8-9-10-11-13-18-16-14-15(12-6-2)19-17(20-16)21(3)4/h14H,5-13H2,1-4H3,(H,18,19,20)
InChIKey
ZPIVHQVFCVZQNW-UHFFFAOYSA-N
Compound name
2-N,2-N-dimethyl-4-N-octyl-6-propylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.2627 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.26998 177.2
[M+Na]+ 315.25192 181.5
[M-H]- 291.25542 178.4
[M+NH4]+ 310.29652 190.6
[M+K]+ 331.22586 178.6
[M+H-H2O]+ 275.25996 167.5
[M+HCOO]- 337.26090 199.0
[M+CH3COO]- 351.27655 216.3
[M+Na-2H]- 313.23737 179.8
[M]+ 292.26215 181.6
[M]- 292.26325 181.6
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