CID 135574838

Brn 0757954

Structural Information

Molecular Formula

C₁₇H₁₃N₃O₂

SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC4=C3C=NNC4=O

InChI

InChI=1S/C17H13N3O2/c21-17-16-14(9-18-20-17)13-8-12(6-7-15(13)19-16)22-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,20,21)

InChIKey

HEXUMJBLSLCAHN-UHFFFAOYSA-N

Compound name

8-phenylmethoxy-3,5-dihydropyridazino[4,5-b]indol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 291.10077 Da
Monoisotopic Mass: 2.6
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]+	292.108046	165.0
[M+Na]+	314.089988	175.9
[M-H]-	290.093494	167.9
[M+NH4]+	309.134593	178.8
[M+K]+	330.063928	168.1
[M+H-H2O]+	274.098030	155.6
[M+HCOO]-	336.098971	183.5
[M+CH3COO]-	350.114621	176.0
[M+Na-2H]-	312.075436	172.5
[M]+	291.10022142	165.9
[M]-	291.10131858	165.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.