CID 55658

(1)benzopyrano(3,4-d)imidazol-4(1h)-one, 1-butyl-

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CCCCN1C=NC2=C1C3=CC=CC=C3OC2=O

InChI

InChI=1S/C14H14N2O2/c1-2-3-8-16-9-15-12-13(16)10-6-4-5-7-11(10)18-14(12)17/h4-7,9H,2-3,8H2,1H3

InChIKey

YFHMCKJEYNMAGY-UHFFFAOYSA-N

Compound name

1-butylchromeno[3,4-d]imidazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 55
Patents: 242.10553 Da
Monoisotopic Mass: 2.7
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]+	243.112806	152.3
[M+Na]+	265.094748	164.5
[M-H]-	241.098254	156.7
[M+NH4]+	260.139353	170.4
[M+K]+	281.068688	160.9
[M+H-H2O]+	225.102790	144.7
[M+HCOO]-	287.103731	174.1
[M+CH3COO]-	301.119381	166.1
[M+Na-2H]-	263.080196	160.5
[M]+	242.10498142	158.6
[M]-	242.10607858	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe