CID 5276771

Schembl13329917

Structural Information

Molecular Formula
C15H28N4
SMILES
CCCCCCCCNC1=NC(=NC(=C1)C)N(C)C
InChI
InChI=1S/C15H28N4/c1-5-6-7-8-9-10-11-16-14-12-13(2)17-15(18-14)19(3)4/h12H,5-11H2,1-4H3,(H,16,17,18)
InChIKey
UCRZSBDIJOGHFC-UHFFFAOYSA-N
Compound name
2-N,2-N,6-trimethyl-4-N-octylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.23138 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.23866 168.3
[M+Na]+ 287.22060 173.5
[M-H]- 263.22410 169.9
[M+NH4]+ 282.26520 182.9
[M+K]+ 303.19454 171.1
[M+H-H2O]+ 247.22864 159.0
[M+HCOO]- 309.22958 190.8
[M+CH3COO]- 323.24523 210.3
[M+Na-2H]- 285.20605 171.9
[M]+ 264.23083 172.0
[M]- 264.23193 172.0
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