CID 470773

[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-methylindol-2-yl)methanone

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3C
InChI
InChI=1S/C22H25N3O2/c1-3-27-21-11-7-6-10-19(21)24-12-14-25(15-13-24)22(26)20-16-17-8-4-5-9-18(17)23(20)2/h4-11,16H,3,12-15H2,1-2H3
InChIKey
BRQNFDDWPIRHIG-UHFFFAOYSA-N
Compound name
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-methylindol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 189.9
[M+Na]+ 386.18389 196.8
[M-H]- 362.18739 196.2
[M+NH4]+ 381.22849 200.6
[M+K]+ 402.15783 190.7
[M+H-H2O]+ 346.19193 178.3
[M+HCOO]- 408.19287 205.8
[M+CH3COO]- 422.20852 198.8
[M+Na-2H]- 384.16934 189.8
[M]+ 363.19412 189.9
[M]- 363.19522 189.9
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.