CID 489433

1-(indolyl-2-carbonyl)-4-(3-cyclopentylamino-2-pyridinyl)piperazine

Structural Information

Molecular Formula
C23H27N5O
SMILES
C1CCC(C1)NC2=C(N=CC=C2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4
InChI
InChI=1S/C23H27N5O/c29-23(21-16-17-6-1-4-9-19(17)26-21)28-14-12-27(13-15-28)22-20(10-5-11-24-22)25-18-7-2-3-8-18/h1,4-6,9-11,16,18,25-26H,2-3,7-8,12-15H2
InChIKey
SHHKGWDZXNQBNU-UHFFFAOYSA-N
Compound name
[4-[3-(cyclopentylamino)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

389.22156 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.22884 190.8
[M+Na]+ 412.21078 194.1
[M-H]- 388.21428 197.4
[M+NH4]+ 407.25538 199.1
[M+K]+ 428.18472 186.8
[M+H-H2O]+ 372.21882 178.6
[M+HCOO]- 434.21976 203.9
[M+CH3COO]- 448.23541 197.6
[M+Na-2H]- 410.19623 188.8
[M]+ 389.22101 183.5
[M]- 389.22211 183.5
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.