CID 489425

[4-[2-(ethylamino)phenyl]piperazin-1-yl]-(5-methoxy-1h-indol-2-yl)methanone

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CCNC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)OC
InChI
InChI=1S/C22H26N4O2/c1-3-23-19-6-4-5-7-21(19)25-10-12-26(13-11-25)22(27)20-15-16-14-17(28-2)8-9-18(16)24-20/h4-9,14-15,23-24H,3,10-13H2,1-2H3
InChIKey
ONDSFQCYAOAGET-UHFFFAOYSA-N
Compound name
[4-[2-(ethylamino)phenyl]piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 191.8
[M+Na]+ 401.19479 197.4
[M-H]- 377.19829 196.9
[M+NH4]+ 396.23939 200.9
[M+K]+ 417.16873 190.6
[M+H-H2O]+ 361.20283 180.6
[M+HCOO]- 423.20377 207.4
[M+CH3COO]- 437.21942 199.7
[M+Na-2H]- 399.18024 192.5
[M]+ 378.20502 189.7
[M]- 378.20612 189.7
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.