CID 67192

128-81-4

Structural Information

Molecular Formula

C₁₆H₉N₃O₄

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C4C(=C3N)C(=O)NC4=O)N

InChI

InChI=1S/C16H9N3O4/c17-11-7-8(12(18)10-9(11)15(22)19-16(10)23)14(21)6-4-2-1-3-5(6)13(7)20/h1-4H,17-18H2,(H,19,22,23)

InChIKey

UOBRDAVIVQKFCM-UHFFFAOYSA-N

Compound name

4,11-diaminonaphtho[2,3-f]isoindole-1,3,5,10-tetrone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 307.0593 Da
Monoisotopic Mass: 1.4
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]+	308.066576	165.1
[M+Na]+	330.048518	180.6
[M-H]-	306.052024	171.1
[M+NH4]+	325.093123	182.8
[M+K]+	346.022458	173.9
[M+H-H2O]+	290.056560	158.5
[M+HCOO]-	352.057501	189.1
[M+CH3COO]-	366.073151	178.6
[M+Na-2H]-	328.033966	171.1
[M]+	307.05875142	169.0
[M]-	307.05984858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe