CID 1633

3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone

Structural Information

Molecular Formula
C20H21N3O2
SMILES
C1CN(CCN1C=O)C2=CC=C(C=C2)CC3C4=CC=CC=C4NC3=O
InChI
InChI=1S/C20H21N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,14,18H,9-13H2,(H,21,25)
InChIKey
AZGZGRJOCKSSHA-UHFFFAOYSA-N
Compound name
4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenyl]piperazine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

49
Patents

335.1634 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.170676 182.0
[M+Na]+ 358.152618 187.9
[M-H]- 334.156124 186.4
[M+NH4]+ 353.197223 192.9
[M+K]+ 374.126558 180.7
[M+H-H2O]+ 318.160660 171.0
[M+HCOO]- 380.161601 195.5
[M+CH3COO]- 394.177251 190.2
[M+Na-2H]- 356.138066 181.6
[M]+ 335.16285142 176.8
[M]- 335.16394858 176.8
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