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 171.9
[M+Na]+ 318.13252 183.3
[M-H]- 294.13602 174.7
[M+NH4]+ 313.17712 184.5
[M+K]+ 334.10646 176.8
[M+H-H2O]+ 278.14056 162.4
[M+HCOO]- 340.14150 191.1
[M+CH3COO]- 354.15715 182.9
[M+Na-2H]- 316.11797 175.3
[M]+ 295.14275 174.2
[M]- 295.14385 174.2
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.