CID 6445574

37425-10-8

Structural Information

Molecular Formula
C18H20N6
SMILES
C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=NC=C4C(=N3)N=CN4
InChI
InChI=1S/C18H20N6/c1-2-5-15(6-3-1)7-4-8-23-9-11-24(12-10-23)18-19-13-16-17(22-18)21-14-20-16/h1-7,13-14H,8-12H2,(H,19,20,21,22)/b7-4+
InChIKey
ZYCQXXHMBUGBBK-QPJJXVBHSA-N
Compound name
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.17496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18224 177.7
[M+Na]+ 343.16418 192.7
[M+NH4]+ 338.20878 183.9
[M+K]+ 359.13812 186.1
[M-H]- 319.16768 180.5
[M+Na-2H]- 341.14963 186.0
[M]+ 320.17441 180.5
[M]- 320.17551 180.5
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.