CID 489474

Methanone,(2,3-dihydro-1h-indol-7-yl)[4-[3-(ethylamino)-2-pyridinyl]-1-piperazinyl]-

Structural Information

Molecular Formula
C20H25N5O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC4=C3NCC4
InChI
InChI=1S/C20H25N5O/c1-2-21-17-7-4-9-23-19(17)24-11-13-25(14-12-24)20(26)16-6-3-5-15-8-10-22-18(15)16/h3-7,9,21-22H,2,8,10-14H2,1H3
InChIKey
GYQVFGTWOMXJOH-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indol-7-yl-[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.2059 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21318 185.6
[M+Na]+ 374.19512 189.4
[M-H]- 350.19862 188.5
[M+NH4]+ 369.23972 194.0
[M+K]+ 390.16906 182.5
[M+H-H2O]+ 334.20316 173.7
[M+HCOO]- 396.20410 197.5
[M+CH3COO]- 410.21975 192.4
[M+Na-2H]- 372.18057 185.9
[M]+ 351.20535 178.7
[M]- 351.20645 178.7
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.