CID 35685

Cafaminol

Structural Information

Molecular Formula
C11H17N5O3
SMILES
CN1C2=C(N=C1N(C)CCO)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C11H17N5O3/c1-13(5-6-17)10-12-8-7(14(10)2)9(18)16(4)11(19)15(8)3/h17H,5-6H2,1-4H3
InChIKey
ZGNRRVAPHPANFI-UHFFFAOYSA-N
Compound name
8-[2-hydroxyethyl(methyl)amino]-1,3,7-trimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

641
Patents

267.13315 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 159.5
[M+Na]+ 290.12237 172.9
[M-H]- 266.12587 161.0
[M+NH4]+ 285.16697 174.5
[M+K]+ 306.09631 169.8
[M+H-H2O]+ 250.13041 151.6
[M+HCOO]- 312.13135 180.9
[M+CH3COO]- 326.14700 203.5
[M+Na-2H]- 288.10782 163.0
[M]+ 267.13260 167.0
[M]- 267.13370 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe