CID 453402

N-(2-indolcarbonyl)-n'-[(3-(t-butylmethyl)amino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C23H29N5O
SMILES
CC(C)(C)CNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C23H29N5O/c1-23(2,3)16-25-19-9-6-10-24-21(19)27-11-13-28(14-12-27)22(29)20-15-17-7-4-5-8-18(17)26-20/h4-10,15,25-26H,11-14,16H2,1-3H3
InChIKey
ZOUJTFNIADWVPF-UHFFFAOYSA-N
Compound name
[4-[3-(2,2-dimethylpropylamino)pyridin-2-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.2372 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.24448 198.4
[M+Na]+ 414.22642 203.2
[M-H]- 390.22992 202.0
[M+NH4]+ 409.27102 205.6
[M+K]+ 430.20036 195.9
[M+H-H2O]+ 374.23446 186.9
[M+HCOO]- 436.23540 210.5
[M+CH3COO]- 450.25105 205.1
[M+Na-2H]- 412.21187 200.2
[M]+ 391.23665 194.8
[M]- 391.23775 194.8
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.