CID 909799

1-[3-(1-imino-2,3-dihydro-1h-isoindol-2-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC(=O)C1=CC(=CC=C1)N2CC3=CC=CC=C3C2=N
InChI
InChI=1S/C16H14N2O/c1-11(19)12-6-4-7-14(9-12)18-10-13-5-2-3-8-15(13)16(18)17/h2-9,17H,10H2,1H3
InChIKey
WRDGMMDGYNHYCU-UHFFFAOYSA-N
Compound name
1-[3-(3-imino-1H-isoindol-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11061 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 156.4
[M+Na]+ 273.09983 164.6
[M-H]- 249.10333 163.1
[M+NH4]+ 268.14443 174.8
[M+K]+ 289.07377 159.5
[M+H-H2O]+ 233.10787 148.7
[M+HCOO]- 295.10881 178.6
[M+CH3COO]- 309.12446 168.8
[M+Na-2H]- 271.08528 160.0
[M]+ 250.11006 154.7
[M]- 250.11116 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.