CID 2729247

Mls000097852

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CC(C)C1(C(=O)N=C2N1C(=O)C3=CC=CC=C32)C

InChI

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

InChIKey

IRZIRPLBWVYQDJ-UHFFFAOYSA-N

Compound name

3-methyl-3-propan-2-ylimidazo[1,2-b]isoindole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 31
Patents: 242.10553 Da
Monoisotopic Mass: 2.1
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	154.2
[M+Na]+	265.094748	165.9
[M-H]-	241.098254	158.3
[M+NH4]+	260.139353	177.4
[M+K]+	281.068688	162.0
[M+H-H2O]+	225.102790	148.5
[M+HCOO]-	287.103731	174.1
[M+CH3COO]-	301.119381	194.7
[M+Na-2H]-	263.080196	156.6
[M]+	242.10498142	157.4
[M]-	242.10607858	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe