CID 453388

136817-58-8

Structural Information

Molecular Formula
C23H28N6O2
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C
InChI
InChI=1S/C23H28N6O2/c1-15(2)25-20-5-4-8-24-22(20)28-9-11-29(12-10-28)23(31)21-14-17-13-18(26-16(3)30)6-7-19(17)27-21/h4-8,13-15,25,27H,9-12H2,1-3H3,(H,26,30)
InChIKey
NKKXMDRURXYWLQ-UHFFFAOYSA-N
Compound name
N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.2274 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.23468 201.3
[M+Na]+ 443.21662 205.1
[M-H]- 419.22012 205.3
[M+NH4]+ 438.26122 206.8
[M+K]+ 459.19056 198.8
[M+H-H2O]+ 403.22466 189.7
[M+HCOO]- 465.22560 214.5
[M+CH3COO]- 479.24125 207.4
[M+Na-2H]- 441.20207 200.7
[M]+ 420.22685 197.7
[M]- 420.22795 197.7
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.