CID 3021567

Brn 4752033

Structural Information

Molecular Formula

C₁₄H₁₃N₃O

SMILES

C1CC(=CC2=C1C=CC(=C2)C(=O)N)N3C=CN=C3

InChI

InChI=1S/C14H13N3O/c15-14(18)11-2-1-10-3-4-13(8-12(10)7-11)17-6-5-16-9-17/h1-2,5-9H,3-4H2,(H2,15,18)

InChIKey

WDHWKRIHZFKPAB-UHFFFAOYSA-N

Compound name

7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 239.10587 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]+	240.113146	153.0
[M+Na]+	262.095088	160.9
[M-H]-	238.098594	157.7
[M+NH4]+	257.139693	169.9
[M+K]+	278.069028	156.3
[M+H-H2O]+	222.103130	144.3
[M+HCOO]-	284.104071	173.8
[M+CH3COO]-	298.119721	164.8
[M+Na-2H]-	260.080536	157.4
[M]+	239.10532142	150.5
[M]-	239.10641858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe