CID 3010166

115204-51-8

Structural Information

Molecular Formula
C16H18N6O
SMILES
CC(=O)NC1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N(C)C
InChI
InChI=1S/C16H18N6O/c1-11(23)20-13-6-4-12(5-7-13)8-22-10-19-14-15(21(2)3)17-9-18-16(14)22/h4-7,9-10H,8H2,1-3H3,(H,20,23)
InChIKey
NTUOCWVEFXMRAK-UHFFFAOYSA-N
Compound name
N-[4-[[6-(dimethylamino)purin-9-yl]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

310.1542 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16148 172.9
[M+Na]+ 333.14342 182.0
[M-H]- 309.14692 177.7
[M+NH4]+ 328.18802 185.2
[M+K]+ 349.11736 177.7
[M+H-H2O]+ 293.15146 162.0
[M+HCOO]- 355.15240 195.1
[M+CH3COO]- 369.16805 183.9
[M+Na-2H]- 331.12887 178.5
[M]+ 310.15365 176.8
[M]- 310.15475 176.8
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.