CID 15956449

1h-indol-2-yl-[1-[3-(isopropylamino)-2-pyridyl]-4-piperidyl]methanone

Structural Information

Molecular Formula
C22H26N4O
SMILES
CC(C)NC1=C(N=CC=C1)N2CCC(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C22H26N4O/c1-15(2)24-19-8-5-11-23-22(19)26-12-9-16(10-13-26)21(27)20-14-17-6-3-4-7-18(17)25-20/h3-8,11,14-16,24-25H,9-10,12-13H2,1-2H3
InChIKey
GPSRXHVVVYPCTP-UHFFFAOYSA-N
Compound name
1H-indol-2-yl-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.21066 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.217936 187.8
[M+Na]+ 385.199878 192.2
[M-H]- 361.203384 192.5
[M+NH4]+ 380.244483 197.2
[M+K]+ 401.173818 185.3
[M+H-H2O]+ 345.207920 176.7
[M+HCOO]- 407.208861 202.2
[M+CH3COO]- 421.224511 195.4
[M+Na-2H]- 383.185326 188.1
[M]+ 362.21011142 183.4
[M]- 362.21120858 183.4
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.