CID 163612

Of 4949i

Structural Information

Molecular Formula
C23H26N4O8
SMILES
COC1=C2C=C(CC(C(=O)NC(C(=O)NC(CC3=CC=C(O2)C=C3)C(=O)O)C(C(=O)N)O)N)C=C1
InChI
InChI=1S/C23H26N4O8/c1-34-16-7-4-12-8-14(24)21(30)27-18(19(28)20(25)29)22(31)26-15(23(32)33)9-11-2-5-13(6-3-11)35-17(16)10-12/h2-7,10,14-15,18-19,28H,8-9,24H2,1H3,(H2,25,29)(H,26,31)(H,27,30)(H,32,33)
InChIKey
FFAXPFYNRPOALX-UHFFFAOYSA-N
Compound name
9-amino-12-(2-amino-1-hydroxy-2-oxoethyl)-4-methoxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-1(19),3,5,7(22),17,20-hexaene-15-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

486.17505 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.18233 200.7
[M+Na]+ 509.16427 203.8
[M+NH4]+ 504.20887 202.1
[M+K]+ 525.13821 230.7
[M-H]- 485.16777 191.6
[M+Na-2H]- 507.14972 232.6
[M]+ 486.17450 197.2
[M]- 486.17560 197.2
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

No patent data available for this compound.