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

49
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

literature stripe

Patent stripe

patents stripe