CID 18699150

Dtxsid301035966

Structural Information

Molecular Formula
C24H11NO6
SMILES
C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C(C6=C(C=C5)C(=O)O)C(=O)O)C(=O)NC2=O
InChI
InChI=1S/C24H11NO6/c26-21-13-5-1-9-11-3-7-15(23(28)29)20-16(24(30)31)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10/h1-8H,(H,28,29)(H,30,31)(H,25,26,27)
InChIKey
UDSOBQUPZDBBNO-UHFFFAOYSA-N
Compound name
15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.05862 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.06590 191.7
[M+Na]+ 432.04784 200.6
[M-H]- 408.05134 193.2
[M+NH4]+ 427.09244 203.5
[M+K]+ 448.02178 195.2
[M+H-H2O]+ 392.05588 181.5
[M+HCOO]- 454.05682 200.5
[M+CH3COO]- 468.07247 199.5
[M+Na-2H]- 430.03329 198.3
[M]+ 409.05807 196.4
[M]- 409.05917 196.4
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.