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]+ 321.182236 178.8
[M+Na]+ 343.164178 186.0
[M-H]- 319.167684 179.3
[M+NH4]+ 338.208783 186.0
[M+K]+ 359.138118 177.1
[M+H-H2O]+ 303.172220 165.4
[M+HCOO]- 365.173161 191.0
[M+CH3COO]- 379.188811 186.1
[M+Na-2H]- 341.149626 182.6
[M]+ 320.17441142 174.2
[M]- 320.17550858 174.2
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.