CID 2802909

99614-03-6

Structural Information

Molecular Formula

C₁₇H₁₇N₃O

SMILES

CN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CN4C=CN=C4

InChI

InChI=1S/C17H17N3O/c1-19-14-5-3-2-4-13(14)16-15(19)7-6-12(17(16)21)10-20-9-8-18-11-20/h2-5,8-9,11-12H,6-7,10H2,1H3

InChIKey

KPSGSRBENRBWPG-UHFFFAOYSA-N

Compound name

3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 279.13718 Da
Monoisotopic Mass: 1.9
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]+	280.14446	165.7
[M+Na]+	302.12640	176.4
[M-H]-	278.12990	171.2
[M+NH4]+	297.17100	183.6
[M+K]+	318.10034	170.5
[M+H-H2O]+	262.13444	156.9
[M+HCOO]-	324.13538	185.2
[M+CH3COO]-	338.15103	177.8
[M+Na-2H]-	300.11185	167.8
[M]+	279.13663	167.4
[M]-	279.13773	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe