CID 455399

Chembl7082

Structural Information

Molecular Formula
C23H27N5O2
SMILES
CC(C)(C)NC(=O)C1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C23H27N5O2/c1-23(2,3)26-21(29)17-8-6-10-24-20(17)27-11-13-28(14-12-27)22(30)19-15-16-7-4-5-9-18(16)25-19/h4-10,15,25H,11-14H2,1-3H3,(H,26,29)
InChIKey
GCVMHFOKXJUIPA-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.21646 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.22374 200.0
[M+Na]+ 428.20568 204.6
[M-H]- 404.20918 203.9
[M+NH4]+ 423.25028 206.4
[M+K]+ 444.17962 198.1
[M+H-H2O]+ 388.21372 188.8
[M+HCOO]- 450.21466 211.4
[M+CH3COO]- 464.23031 206.5
[M+Na-2H]- 426.19113 201.1
[M]+ 405.21591 196.4
[M]- 405.21701 196.4
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.