CID 374608

Nsc652577

Structural Information

Molecular Formula
C17H27N3O7
SMILES
CN(CCO)C1=NC(=O)C2=C(N1C3C(C(C(C(O3)CO)O)O)O)CCCC2
InChI
InChI=1S/C17H27N3O7/c1-19(6-7-21)17-18-15(26)9-4-2-3-5-10(9)20(17)16-14(25)13(24)12(23)11(8-22)27-16/h11-14,16,21-25H,2-8H2,1H3
InChIKey
DNWNLOXKODBEMY-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(methyl)amino]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1849 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19218 190.5
[M+Na]+ 408.17412 194.7
[M-H]- 384.17762 190.4
[M+NH4]+ 403.21872 196.1
[M+K]+ 424.14806 192.8
[M+H-H2O]+ 368.18216 181.7
[M+HCOO]- 430.18310 197.9
[M+CH3COO]- 444.19875 217.8
[M+Na-2H]- 406.15957 189.3
[M]+ 385.18435 187.8
[M]- 385.18545 187.8
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.