CID 5276770

Schembl13329916

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.2627 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.26998 177.5
[M+Na]+ 315.25192 182.0
[M-H]- 291.25542 180.2
[M+NH4]+ 310.29652 191.6
[M+K]+ 331.22586 180.4
[M+H-H2O]+ 275.25996 167.6
[M+HCOO]- 337.26090 199.8
[M+CH3COO]- 351.27655 219.7
[M+Na-2H]- 313.23737 179.3
[M]+ 292.26215 183.2
[M]- 292.26325 183.2
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