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]+ 297.207376 172.6
[M+Na]+ 319.189318 178.6
[M-H]- 295.192824 177.9
[M+NH4]+ 314.233923 185.1
[M+K]+ 335.163258 172.9
[M+H-H2O]+ 279.197360 161.5
[M+HCOO]- 341.198301 191.9
[M+CH3COO]- 355.213951 182.4
[M+Na-2H]- 317.174766 174.5
[M]+ 296.19955142 170.4
[M]- 296.20064858 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.