CID 453396

153473-54-2

Structural Information

Molecular Formula
C22H25N5O2
SMILES
CCN(C1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3)C(=O)C
InChI
InChI=1S/C22H25N5O2/c1-3-27(16(2)28)20-9-6-10-23-21(20)25-11-13-26(14-12-25)22(29)19-15-17-7-4-5-8-18(17)24-19/h4-10,15,24H,3,11-14H2,1-2H3
InChIKey
YNNJXLYOYFRJBE-UHFFFAOYSA-N
Compound name
N-ethyl-N-[2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.20084 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20812 194.4
[M+Na]+ 414.19006 199.1
[M-H]- 390.19356 199.4
[M+NH4]+ 409.23466 201.7
[M+K]+ 430.16400 193.4
[M+H-H2O]+ 374.19810 182.3
[M+HCOO]- 436.19904 208.3
[M+CH3COO]- 450.21469 201.6
[M+Na-2H]- 412.17551 194.2
[M]+ 391.20029 192.2
[M]- 391.20139 192.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.