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]+ 194.10364 142.7
[M+Na]+ 216.08558 152.2
[M-H]- 192.08908 139.6
[M+NH4]+ 211.13018 160.0
[M+K]+ 232.05952 148.1
[M+H-H2O]+ 176.09362 135.5
[M+HCOO]- 238.09456 158.5
[M+CH3COO]- 252.11021 153.7
[M+Na-2H]- 214.07103 148.0
[M]+ 193.09581 138.5
[M]- 193.09691 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.