CID 95249

Adenine, 9-benzyl-n,n-dimethyl-

Structural Information

Molecular Formula
C14H15N5
SMILES
CN(C)C1=NC=NC2=C1N=CN2CC3=CC=CC=C3
InChI
InChI=1S/C14H15N5/c1-18(2)13-12-14(16-9-15-13)19(10-17-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKey
MWNWNSRTWCNNOL-UHFFFAOYSA-N
Compound name
9-benzyl-N,N-dimethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

253.13275 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14003 157.5
[M+Na]+ 276.12197 167.7
[M-H]- 252.12547 161.9
[M+NH4]+ 271.16657 172.3
[M+K]+ 292.09591 163.2
[M+H-H2O]+ 236.13001 146.8
[M+HCOO]- 298.13095 180.0
[M+CH3COO]- 312.14660 169.8
[M+Na-2H]- 274.10742 165.2
[M]+ 253.13220 160.9
[M]- 253.13330 160.9
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.