CID 215955

2,3,5,6-tetramethyl-n-(7h-purin-6-yl)benzamide

Structural Information

Molecular Formula
C16H17N5O
SMILES
CC1=CC(=C(C(=C1C)C(=O)NC2=NC=NC3=C2NC=N3)C)C
InChI
InChI=1S/C16H17N5O/c1-8-5-9(2)11(4)12(10(8)3)16(22)21-15-13-14(18-6-17-13)19-7-20-15/h5-7H,1-4H3,(H2,17,18,19,20,21,22)
InChIKey
BMJQDTHMGPBYIP-UHFFFAOYSA-N
Compound name
2,3,5,6-tetramethyl-N-(7H-purin-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1433 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15058 170.3
[M+Na]+ 318.13252 185.0
[M+NH4]+ 313.17712 176.4
[M+K]+ 334.10646 180.5
[M-H]- 294.13602 172.6
[M+Na-2H]- 316.11797 176.9
[M]+ 295.14275 172.9
[M]- 295.14385 172.9
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.