CID 454649

2-indolinone 3,3bis(imidazme)1ph deriv.

Structural Information

Molecular Formula
C22H19N5O
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=NC=CN4)CC5=NC=CN5
InChI
InChI=1S/C22H19N5O/c28-21-22(14-19-23-10-11-24-19,15-20-25-12-13-26-20)17-8-4-5-9-18(17)27(21)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)(H,25,26)
InChIKey
INXVVLXNBCERMM-UHFFFAOYSA-N
Compound name
3,3-bis(1H-imidazol-2-ylmethyl)-1-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15897 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16625 184.2
[M+Na]+ 392.14819 193.7
[M-H]- 368.15169 191.1
[M+NH4]+ 387.19279 196.0
[M+K]+ 408.12213 185.4
[M+H-H2O]+ 352.15623 173.0
[M+HCOO]- 414.15717 201.6
[M+CH3COO]- 428.17282 193.6
[M+Na-2H]- 390.13364 183.9
[M]+ 369.15842 183.6
[M]- 369.15952 183.6
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.