CID 5276751

Schembl13329885

Structural Information

Molecular Formula
C17H32N4
SMILES
CC1=CC(=NC(=N1)NC(C)CC(C)C)NC(C)CC(C)C
InChI
InChI=1S/C17H32N4/c1-11(2)8-13(5)18-16-10-15(7)20-17(21-16)19-14(6)9-12(3)4/h10-14H,8-9H2,1-7H3,(H2,18,19,20,21)
InChIKey
ZHVILDUKEFLQIU-UHFFFAOYSA-N
Compound name
6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.2627 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.26998 178.4
[M+Na]+ 315.25192 181.6
[M-H]- 291.25542 178.7
[M+NH4]+ 310.29652 190.9
[M+K]+ 331.22586 179.4
[M+H-H2O]+ 275.25996 169.6
[M+HCOO]- 337.26090 195.8
[M+CH3COO]- 351.27655 216.4
[M+Na-2H]- 313.23737 176.9
[M]+ 292.26215 179.1
[M]- 292.26325 179.1
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