CID 455111

5983-52-8

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

C1CNC2(C3=CC=CC=C3C(=O)N2C1)C4=CC=CC=C4

InChI

InChI=1S/C17H16N2O/c20-16-14-9-4-5-10-15(14)17(13-7-2-1-3-8-13)18-11-6-12-19(16)17/h1-5,7-10,18H,6,11-12H2

InChIKey

PJMQDIXGYNLHIK-UHFFFAOYSA-N

Compound name

10b-phenyl-1,2,3,4-tetrahydropyrimido[2,1-a]isoindol-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 8
Patents: 264.12625 Da
Monoisotopic Mass: 2.3
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]+	265.13353	161.9
[M+Na]+	287.11547	169.6
[M-H]-	263.11897	165.9
[M+NH4]+	282.16007	180.3
[M+K]+	303.08941	162.9
[M+H-H2O]+	247.12351	152.6
[M+HCOO]-	309.12445	177.5
[M+CH3COO]-	323.14010	172.4
[M+Na-2H]-	285.10092	167.1
[M]+	264.12570	156.8
[M]-	264.12680	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe