CID 455409

Chembl427646

Structural Information

Molecular Formula
C23H29N5O2
SMILES
CC(C)(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)OC
InChI
InChI=1S/C23H29N5O2/c1-23(2,3)26-19-6-5-9-24-21(19)27-10-12-28(13-11-27)22(29)20-15-16-14-17(30-4)7-8-18(16)25-20/h5-9,14-15,25-26H,10-13H2,1-4H3
InChIKey
LOCDRXSTPCWQMU-UHFFFAOYSA-N
Compound name
[4-[3-(tert-butylamino)pyridin-2-yl]piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.23212 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.23940 202.2
[M+Na]+ 430.22134 207.6
[M-H]- 406.22484 206.2
[M+NH4]+ 425.26594 208.9
[M+K]+ 446.19528 201.1
[M+H-H2O]+ 390.22938 190.8
[M+HCOO]- 452.23032 214.4
[M+CH3COO]- 466.24597 209.0
[M+Na-2H]- 428.20679 203.4
[M]+ 407.23157 200.3
[M]- 407.23267 200.3
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.