CID 9978312

3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1h)-yl)propanoic acid

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=CC3=C(C4=C(N3CCC(=O)O)C=CC(=C4)O)C5=C2C(=O)NC5=O

InChI

InChI=1S/C23H16N2O5/c26-13-6-7-16-15(10-13)19-17(25(16)9-8-18(27)28)11-14(12-4-2-1-3-5-12)20-21(19)23(30)24-22(20)29/h1-7,10-11,26H,8-9H2,(H,27,28)(H,24,29,30)

InChIKey

JDARUOOLJCFUOY-UHFFFAOYSA-N

Compound name

3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanoic acid

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 13
Patents: 400.10593 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	401.11321	193.0
[M+Na]+	423.09515	203.2
[M-H]-	399.09865	198.0
[M+NH4]+	418.13975	205.9
[M+K]+	439.06909	196.1
[M+H-H2O]+	383.10319	185.8
[M+HCOO]-	445.10413	207.9
[M+CH3COO]-	459.11978	202.5
[M+Na-2H]-	421.08060	192.4
[M]+	400.10538	195.9
[M]-	400.10648	195.9

Literature stripe

Patent stripe