CID 3008306

2-[4-[(2,3-dioxoindolin-1-yl)methyl]phenyl]benzonitrile

Structural Information

Molecular Formula
C22H14N2O2
SMILES
C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=O)C3=O
InChI
InChI=1S/C22H14N2O2/c23-13-17-5-1-2-6-18(17)16-11-9-15(10-12-16)14-24-20-8-4-3-7-19(20)21(25)22(24)26/h1-12H,14H2
InChIKey
YKUDWBONZLMJGH-UHFFFAOYSA-N
Compound name
2-[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.10553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11281 186.7
[M+Na]+ 361.09475 198.9
[M-H]- 337.09825 193.8
[M+NH4]+ 356.13935 199.5
[M+K]+ 377.06869 188.3
[M+H-H2O]+ 321.10279 170.7
[M+HCOO]- 383.10373 204.0
[M+CH3COO]- 397.11938 196.0
[M+Na-2H]- 359.08020 187.1
[M]+ 338.10498 181.9
[M]- 338.10608 181.9
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.