CID 168675

Deoxynybomycin

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CC1=CC(=O)N(C2=C3C4=C(C=C12)C(=CC(=O)N4CO3)C)C
InChI
InChI=1S/C16H14N2O3/c1-8-4-12(19)17(3)14-10(8)6-11-9(2)5-13(20)18-7-21-16(14)15(11)18/h4-6H,7H2,1-3H3
InChIKey
SBTFHJGTXHMDPR-UHFFFAOYSA-N
Compound name
3,6,10-trimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,5,7,9(16),10-pentaene-4,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

35
Patents

282.10043 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 162.9
[M+Na]+ 305.08965 177.8
[M-H]- 281.09315 168.7
[M+NH4]+ 300.13425 181.2
[M+K]+ 321.06359 173.6
[M+H-H2O]+ 265.09769 155.5
[M+HCOO]- 327.09863 182.3
[M+CH3COO]- 341.11428 176.8
[M+Na-2H]- 303.07510 169.1
[M]+ 282.09988 171.3
[M]- 282.10098 171.3
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.