CID 489423

1-[5-chloroindolyl-2-carbonyl]-4-[3-(ethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C20H22ClN5O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl
InChI
InChI=1S/C20H22ClN5O/c1-2-22-17-4-3-7-23-19(17)25-8-10-26(11-9-25)20(27)18-13-14-12-15(21)5-6-16(14)24-18/h3-7,12-13,22,24H,2,8-11H2,1H3
InChIKey
CZFVZRKYAQSBNY-UHFFFAOYSA-N
Compound name
(5-chloro-1H-indol-2-yl)-[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.15128 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15856 191.2
[M+Na]+ 406.14050 198.5
[M-H]- 382.14400 194.9
[M+NH4]+ 401.18510 199.7
[M+K]+ 422.11444 190.0
[M+H-H2O]+ 366.14854 179.6
[M+HCOO]- 428.14948 201.2
[M+CH3COO]- 442.16513 198.8
[M+Na-2H]- 404.12595 192.2
[M]+ 383.15073 189.7
[M]- 383.15183 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

patents stripe