CID 504703

Chembl49014

Structural Information

Molecular Formula
C18H24N4
SMILES
CCCN(CC1CC1)C2=NC(=CC(=N2)NC3=CC=CC=C3)C
InChI
InChI=1S/C18H24N4/c1-3-11-22(13-15-9-10-15)18-19-14(2)12-17(21-18)20-16-7-5-4-6-8-16/h4-8,12,15H,3,9-11,13H2,1-2H3,(H,19,20,21)
InChIKey
UPHJAMHCFGHFEK-UHFFFAOYSA-N
Compound name
2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.2001 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20738 173.4
[M+Na]+ 319.18932 180.5
[M-H]- 295.19282 181.7
[M+NH4]+ 314.23392 181.3
[M+K]+ 335.16326 175.3
[M+H-H2O]+ 279.19736 162.9
[M+HCOO]- 341.19830 197.2
[M+CH3COO]- 355.21395 215.1
[M+Na-2H]- 317.17477 178.4
[M]+ 296.19955 176.3
[M]- 296.20065 176.3
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.