CID 2902863

306967-37-3

Structural Information

Molecular Formula
C24H23NO4
SMILES
CC(C)CC(C(=O)O)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI
InChI=1S/C24H23NO4/c1-12(2)11-17(24(28)29)25-22(26)20-18-13-7-3-4-8-14(13)19(21(20)23(25)27)16-10-6-5-9-15(16)18/h3-10,12,17-21H,11H2,1-2H3,(H,28,29)
InChIKey
PGJVHPHCIWSPOX-UHFFFAOYSA-N
Compound name
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

389.16272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.169996 189.7
[M+Na]+ 412.151938 192.9
[M-H]- 388.155444 191.4
[M+NH4]+ 407.196543 205.1
[M+K]+ 428.125878 188.3
[M+H-H2O]+ 372.159980 181.3
[M+HCOO]- 434.160921 195.7
[M+CH3COO]- 448.176571 196.7
[M+Na-2H]- 410.137386 189.2
[M]+ 389.16217142 191.9
[M]- 389.16326858 191.9
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.