CID 2854359

6-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoic acid

Structural Information

Molecular Formula
C24H23NO4
SMILES
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCCCCC(=O)O
InChI
InChI=1S/C24H23NO4/c26-18(27)12-2-1-7-13-25-23(28)21-19-14-8-3-4-9-15(14)20(22(21)24(25)29)17-11-6-5-10-16(17)19/h3-6,8-11,19-22H,1-2,7,12-13H2,(H,26,27)
InChIKey
WGNSQWMLUYLLCO-UHFFFAOYSA-N
Compound name
6-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.169996 189.7
[M+Na]+ 412.151938 193.7
[M-H]- 388.155444 191.3
[M+NH4]+ 407.196543 205.3
[M+K]+ 428.125878 187.8
[M+H-H2O]+ 372.159980 180.5
[M+HCOO]- 434.160921 197.7
[M+CH3COO]- 448.176571 197.0
[M+Na-2H]- 410.137386 191.2
[M]+ 389.16217142 193.0
[M]- 389.16326858 193.0
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.