CID 135409222

Nsc670254

Structural Information

Molecular Formula
C8H11N5O
SMILES
CC1(NC2=C(C(=N1)C(=O)N)NC=N2)C
InChI
InChI=1S/C8H11N5O/c1-8(2)12-4(6(9)14)5-7(13-8)11-3-10-5/h3,13H,1-2H3,(H2,9,14)(H,10,11)
InChIKey
ZNDOPFMMQQGEAN-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3,7-dihydropurine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09636 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.103636 142.7
[M+Na]+ 216.085578 152.2
[M-H]- 192.089084 139.6
[M+NH4]+ 211.130183 160.0
[M+K]+ 232.059518 148.1
[M+H-H2O]+ 176.093620 135.5
[M+HCOO]- 238.094561 158.5
[M+CH3COO]- 252.110211 153.7
[M+Na-2H]- 214.071026 148.0
[M]+ 193.09581142 138.5
[M]- 193.09690858 138.5
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.