CID 455108

Thiazoloisoindol-5-one deriv. 34

Structural Information

Molecular Formula
C17H15NO
SMILES
C1CC2(C3=CC=CC=C3C(=O)N2C1)C4=CC=CC=C4
InChI
InChI=1S/C17H15NO/c19-16-14-9-4-5-10-15(14)17(11-6-12-18(16)17)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
InChIKey
XNYDFVOFZSYAQP-UHFFFAOYSA-N
Compound name
9b-phenyl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

249.11537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12265 157.9
[M+Na]+ 272.10459 167.1
[M-H]- 248.10809 165.5
[M+NH4]+ 267.14919 181.2
[M+K]+ 288.07853 161.5
[M+H-H2O]+ 232.11263 150.6
[M+HCOO]- 294.11357 178.8
[M+CH3COO]- 308.12922 170.8
[M+Na-2H]- 270.09004 161.7
[M]+ 249.11482 156.6
[M]- 249.11592 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe