CID 455445

Chembl7208

Structural Information

Molecular Formula
C20H21N5O2
SMILES
CNC(=O)C1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C20H21N5O2/c1-21-19(26)15-6-4-8-22-18(15)24-9-11-25(12-10-24)20(27)17-13-14-5-2-3-7-16(14)23-17/h2-8,13,23H,9-12H2,1H3,(H,21,26)
InChIKey
PVHNKJMICKPRGZ-UHFFFAOYSA-N
Compound name
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.16953 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17681 186.0
[M+Na]+ 386.15875 191.5
[M-H]- 362.16225 189.9
[M+NH4]+ 381.20335 193.9
[M+K]+ 402.13269 184.9
[M+H-H2O]+ 346.16679 174.4
[M+HCOO]- 408.16773 200.1
[M+CH3COO]- 422.18338 193.6
[M+Na-2H]- 384.14420 187.4
[M]+ 363.16898 182.0
[M]- 363.17008 182.0
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.