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

2
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

literature stripe

Patent stripe

patents stripe