CID 264734

1-benzylisatin

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O
InChI
InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
SIISFRLGYDVIRG-UHFFFAOYSA-N
Compound name
1-benzylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

320
Patents

237.07898 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 151.1
[M+Na]+ 260.06820 160.9
[M-H]- 236.07170 158.0
[M+NH4]+ 255.11280 170.4
[M+K]+ 276.04214 156.1
[M+H-H2O]+ 220.07624 143.6
[M+HCOO]- 282.07718 173.9
[M+CH3COO]- 296.09283 164.5
[M+Na-2H]- 258.05365 155.9
[M]+ 237.07843 151.8
[M]- 237.07953 151.8
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