CID 496196

9h-purine, 2-((4-butylphenyl)amino)-

Structural Information

Molecular Formula
C15H17N5
SMILES
CCCCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N=CN3
InChI
InChI=1S/C15H17N5/c1-2-3-4-11-5-7-12(8-6-11)19-15-16-9-13-14(20-15)18-10-17-13/h5-10H,2-4H2,1H3,(H2,16,17,18,19,20)
InChIKey
FAYSZBMSWLHYEM-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-7H-purin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.1484 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15568 161.4
[M+Na]+ 290.13762 170.6
[M-H]- 266.14112 162.9
[M+NH4]+ 285.18222 174.4
[M+K]+ 306.11156 163.8
[M+H-H2O]+ 250.14566 151.1
[M+HCOO]- 312.14660 181.6
[M+CH3COO]- 326.16225 172.1
[M+Na-2H]- 288.12307 169.0
[M]+ 267.14785 162.2
[M]- 267.14895 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.