CID 489470

1-[indolyl-7-carbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C21H25N5O
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC4=C3NC=C4
InChI
InChI=1S/C21H25N5O/c1-15(2)24-18-7-4-9-23-20(18)25-11-13-26(14-12-25)21(27)17-6-3-5-16-8-10-22-19(16)17/h3-10,15,22,24H,11-14H2,1-2H3
InChIKey
LRTFRYWLXWLTEN-UHFFFAOYSA-N
Compound name
1H-indol-7-yl-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.2059 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.21318 188.0
[M+Na]+ 386.19512 193.0
[M-H]- 362.19862 191.7
[M+NH4]+ 381.23972 196.1
[M+K]+ 402.16906 186.0
[M+H-H2O]+ 346.20316 176.3
[M+HCOO]- 408.20410 201.4
[M+CH3COO]- 422.21975 195.3
[M+Na-2H]- 384.18057 188.9
[M]+ 363.20535 183.8
[M]- 363.20645 183.8
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.