CID 17754180

Ns00069463

Structural Information

Molecular Formula
C20H21N3O2
SMILES
C1CN(CCN1C=O)C2=CC=C(C=C2)C[C@@H]3C4=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)/t18-/m1/s1
InChIKey
AZGZGRJOCKSSHA-GOSISDBHSA-N
Compound name
4-[4-[[(3R)-2-oxo-1,3-dihydroindol-3-yl]methyl]phenyl]piperazine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 182.0
[M+Na]+ 358.15262 187.9
[M-H]- 334.15612 186.4
[M+NH4]+ 353.19722 192.9
[M+K]+ 374.12656 180.7
[M+H-H2O]+ 318.16066 171.0
[M+HCOO]- 380.16160 195.5
[M+CH3COO]- 394.17725 190.2
[M+Na-2H]- 356.13807 181.6
[M]+ 335.16285 176.8
[M]- 335.16395 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.