CID 455397

Chembl6896

Structural Information

Molecular Formula
C21H25N5O
SMILES
CCCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C21H25N5O/c1-2-9-22-18-8-5-10-23-20(18)25-11-13-26(14-12-25)21(27)19-15-16-6-3-4-7-17(16)24-19/h3-8,10,15,22,24H,2,9,11-14H2,1H3
InChIKey
FUPJDVHLLJTZMM-UHFFFAOYSA-N
Compound name
1H-indol-2-yl-[4-[3-(propylamino)-2-pyridinyl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.2059 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.213176 188.0
[M+Na]+ 386.195118 193.3
[M-H]- 362.198624 191.5
[M+NH4]+ 381.239723 196.1
[M+K]+ 402.169058 185.7
[M+H-H2O]+ 346.203160 176.0
[M+HCOO]- 408.204101 202.4
[M+CH3COO]- 422.219751 195.4
[M+Na-2H]- 384.180566 189.9
[M]+ 363.20535142 184.2
[M]- 363.20644858 184.2
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.