CID 5276764

Schembl13329903

Structural Information

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

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23866 179.3
[M+Na]+ 335.22060 184.0
[M-H]- 311.22410 183.7
[M+NH4]+ 330.26520 191.2
[M+K]+ 351.19454 179.6
[M+H-H2O]+ 295.22864 168.4
[M+HCOO]- 357.22958 201.8
[M+CH3COO]- 371.24523 217.7
[M+Na-2H]- 333.20605 183.5
[M]+ 312.23083 181.7
[M]- 312.23193 181.7
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.