CID 10156987

3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)quinolin-2(1h)-one

Structural Information

Molecular Formula
C24H26N4O
SMILES
C1CN(CCC1CN)CC2=CC3=C(C=C2)NC(=C3)C4=CC5=CC=CC=C5NC4=O
InChI
InChI=1S/C24H26N4O/c25-14-16-7-9-28(10-8-16)15-17-5-6-22-19(11-17)13-23(26-22)20-12-18-3-1-2-4-21(18)27-24(20)29/h1-6,11-13,16,26H,7-10,14-15,25H2,(H,27,29)
InChIKey
KBIHHEGEALBUMT-UHFFFAOYSA-N
Compound name
3-[5-[[4-(aminomethyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

386.21066 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21794 193.6
[M+Na]+ 409.19988 200.5
[M-H]- 385.20338 197.9
[M+NH4]+ 404.24448 202.5
[M+K]+ 425.17382 190.4
[M+H-H2O]+ 369.20792 182.4
[M+HCOO]- 431.20886 206.7
[M+CH3COO]- 445.22451 200.7
[M+Na-2H]- 407.18533 194.9
[M]+ 386.21011 187.9
[M]- 386.21121 187.9
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

patents stripe