CID 356054

Nsc611088

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CC1(CCC2(N1OC(=O)N2C3=CC=CC=C3)C)C

InChI

InChI=1S/C14H18N2O2/c1-13(2)9-10-14(3)15(12(17)18-16(13)14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3

InChIKey

VTCSRGREERSKAC-UHFFFAOYSA-N

Compound name

5,5,7a-trimethyl-1-phenyl-6,7-dihydropyrrolo[1,2-b][1,2,4]oxadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.13683 Da
Monoisotopic Mass: 3.1
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]+	247.144106	153.4
[M+Na]+	269.126048	163.4
[M-H]-	245.129554	159.7
[M+NH4]+	264.170653	175.6
[M+K]+	285.099988	161.3
[M+H-H2O]+	229.134090	147.2
[M+HCOO]-	291.135031	172.1
[M+CH3COO]-	305.150681	166.6
[M+Na-2H]-	267.111496	156.9
[M]+	246.13628142	154.3
[M]-	246.13737858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.