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
1
Annotation Hits

0
References

1288
Patents

251.13823 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14551 155.8
[M+Na]+ 274.12745 169.0
[M-H]- 250.13095 158.3
[M+NH4]+ 269.17205 172.0
[M+K]+ 290.10139 166.1
[M+H-H2O]+ 234.13549 147.4
[M+HCOO]- 296.13643 178.6
[M+CH3COO]- 310.15208 202.4
[M+Na-2H]- 272.11290 160.4
[M]+ 251.13768 163.4
[M]- 251.13878 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