CID 285450

Nsc142423

Structural Information

Molecular Formula
C22H18N2O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NCN3C4=CC=CC=C4C(=O)C3=O
InChI
InChI=1S/C22H18N2O2/c25-21-18-13-7-8-14-19(18)24(22(21)26)15-23-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20,23H,15H2
InChIKey
CCCSHKFXZRXHQV-UHFFFAOYSA-N
Compound name
1-[(benzhydrylamino)methyl]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.13684 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 180.7
[M+Na]+ 365.12606 187.2
[M-H]- 341.12956 189.9
[M+NH4]+ 360.17066 194.3
[M+K]+ 381.10000 180.8
[M+H-H2O]+ 325.13410 170.8
[M+HCOO]- 387.13504 202.2
[M+CH3COO]- 401.15069 191.1
[M+Na-2H]- 363.11151 183.4
[M]+ 342.13629 179.7
[M]- 342.13739 179.7
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.