CID 978661

2-(8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetamide

Structural Information

Molecular Formula
C18H22N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(C)CC3=CC=CC=C3)CC(=O)N
InChI
InChI=1S/C18H22N6O3/c1-21(9-12-7-5-4-6-8-12)11-14-20-16-15(24(14)10-13(19)25)17(26)23(3)18(27)22(16)2/h4-8H,9-11H2,1-3H3,(H2,19,25)
InChIKey
SKYXCLGHTFJRSN-UHFFFAOYSA-N
Compound name
2-[8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

370.17532 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18260 186.5
[M+Na]+ 393.16454 199.2
[M+NH4]+ 388.20914 190.3
[M+K]+ 409.13848 196.3
[M-H]- 369.16804 188.2
[M+Na-2H]- 391.14999 191.4
[M]+ 370.17477 188.4
[M]- 370.17587 188.4
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

patents stripe