CID 3006762

Chembl87185

Structural Information

Molecular Formula

C₁₅H₁₀N₄O₂

SMILES

COC1=CC2=C(C=C1)N3C(=C2N=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C15H10N4O2/c1-21-9-6-7-13-11(8-9)14(17-20)15-10-4-2-3-5-12(10)16-18-19(13)15/h2-8H,1H3

InChIKey

KUEZKLFAEMVDSJ-UHFFFAOYSA-N

Compound name

10-methoxy-12-nitrosoindolo[1,2-c][1,2,3]benzotriazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 278.08038 Da
Monoisotopic Mass: 2.5
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]+	279.087656	159.8
[M+Na]+	301.069598	173.8
[M-H]-	277.073104	165.3
[M+NH4]+	296.114203	177.5
[M+K]+	317.043538	168.7
[M+H-H2O]+	261.077640	150.3
[M+HCOO]-	323.078581	184.2
[M+CH3COO]-	337.094231	173.6
[M+Na-2H]-	299.055046	171.0
[M]+	278.07983142	167.9
[M]-	278.08092858	167.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.