CID 10612

Dimethazan

Structural Information

Molecular Formula
C11H17N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C
InChI
InChI=1S/C11H17N5O2/c1-13(2)5-6-16-7-12-9-8(16)10(17)15(4)11(18)14(9)3/h7H,5-6H2,1-4H3
InChIKey
CMKUGKVVUUGBHJ-UHFFFAOYSA-N
Compound name
7-[2-(dimethylamino)ethyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1355
Patents

251.13823 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.145506 155.8
[M+Na]+ 274.127448 169.0
[M-H]- 250.130954 158.3
[M+NH4]+ 269.172053 172.0
[M+K]+ 290.101388 166.1
[M+H-H2O]+ 234.135490 147.4
[M+HCOO]- 296.136431 178.6
[M+CH3COO]- 310.152081 202.4
[M+Na-2H]- 272.112896 160.4
[M]+ 251.13768142 163.4
[M]- 251.13877858 163.4
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