CID 365904

Nsc634016

Structural Information

Molecular Formula
C11H14N2O6
SMILES
C1=C2C(C3C(C(C(N2C(=O)NC1=O)O3)O)O)CCO
InChI
InChI=1S/C11H14N2O6/c14-2-1-4-5-3-6(15)12-11(18)13(5)10-8(17)7(16)9(4)19-10/h3-4,7-10,14,16-17H,1-2H2,(H,12,15,18)
InChIKey
PWMCYEQTMFUEHJ-UHFFFAOYSA-N
Compound name
10,11-dihydroxy-8-(2-hydroxyethyl)-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.08517 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09245 155.8
[M+Na]+ 293.07439 165.8
[M-H]- 269.07789 153.4
[M+NH4]+ 288.11899 170.6
[M+K]+ 309.04833 162.3
[M+H-H2O]+ 253.08243 150.6
[M+HCOO]- 315.08337 167.1
[M+CH3COO]- 329.09902 190.4
[M+Na-2H]- 291.05984 159.6
[M]+ 270.08462 156.7
[M]- 270.08572 156.7
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.