CID 56961879

Usl-311

Structural Information

Molecular Formula
C24H34N6O
SMILES
CC(C)N1CCC(CC1)N2CCCN(CC2)C3=CC=CC(=N3)C(=O)NC4=CC=NC=C4
InChI
InChI=1S/C24H34N6O/c1-19(2)28-15-9-21(10-16-28)29-13-4-14-30(18-17-29)23-6-3-5-22(27-23)24(31)26-20-7-11-25-12-8-20/h3,5-8,11-12,19,21H,4,9-10,13-18H2,1-2H3,(H,25,26,31)
InChIKey
XNUNVQKARNSSEO-UHFFFAOYSA-N
Compound name
6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

150
Patents

422.27942 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.28670 209.1
[M+Na]+ 445.26864 218.5
[M+NH4]+ 440.31324 213.3
[M+K]+ 461.24258 212.9
[M-H]- 421.27214 213.5
[M+Na-2H]- 443.25409 215.4
[M]+ 422.27887 211.4
[M]- 422.27997 211.4
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

patents stripe