CID 5276761

Schembl13329899

Structural Information

Molecular Formula
C19H28N4
SMILES
CCCCCCCCNC1=NC(=NC(=C1)C)NC2=CC=CC=C2
InChI
InChI=1S/C19H28N4/c1-3-4-5-6-7-11-14-20-18-15-16(2)21-19(23-18)22-17-12-9-8-10-13-17/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H2,20,21,22,23)
InChIKey
HJWIEBVLLPXIAP-UHFFFAOYSA-N
Compound name
6-methyl-4-N-octyl-2-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.23138 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23866 178.3
[M+Na]+ 335.22060 182.9
[M-H]- 311.22410 181.3
[M+NH4]+ 330.26520 189.7
[M+K]+ 351.19454 177.2
[M+H-H2O]+ 295.22864 167.7
[M+HCOO]- 357.22958 200.4
[M+CH3COO]- 371.24523 214.4
[M+Na-2H]- 333.20605 183.4
[M]+ 312.23083 179.5
[M]- 312.23193 179.5
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

No patent data available for this compound.