CID 5276758

2-pyrimidinamine, 4-methyl-n-phenyl-5-propyl-6-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C18H24N4
SMILES
CCCC1=C(N=C(N=C1N2CCCC2)NC3=CC=CC=C3)C
InChI
InChI=1S/C18H24N4/c1-3-9-16-14(2)19-18(20-15-10-5-4-6-11-15)21-17(16)22-12-7-8-13-22/h4-6,10-11H,3,7-9,12-13H2,1-2H3,(H,19,20,21)
InChIKey
OSATYGLLTRHACF-UHFFFAOYSA-N
Compound name
4-methyl-N-phenyl-5-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.2001 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20738 172.6
[M+Na]+ 319.18932 178.6
[M-H]- 295.19282 177.9
[M+NH4]+ 314.23392 185.1
[M+K]+ 335.16326 172.9
[M+H-H2O]+ 279.19736 161.5
[M+HCOO]- 341.19830 191.9
[M+CH3COO]- 355.21395 182.4
[M+Na-2H]- 317.17477 174.5
[M]+ 296.19955 170.4
[M]- 296.20065 170.4
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.