CID 11350913

Cj-040714

Structural Information

Molecular Formula
C23H34N4O4
SMILES
CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NCC3CCN(CC3)CC4(CCOCC4)O
InChI
InChI=1S/C23H34N4O4/c1-17(2)26-19-5-3-4-6-20(19)27(22(26)29)21(28)24-15-18-7-11-25(12-8-18)16-23(30)9-13-31-14-10-23/h3-6,17-18,30H,7-16H2,1-2H3,(H,24,28)
InChIKey
OMZWFGGPQLRSMV-UHFFFAOYSA-N
Compound name
N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

430.258 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.26528 204.6
[M+Na]+ 453.24722 207.5
[M-H]- 429.25072 209.3
[M+NH4]+ 448.29182 211.9
[M+K]+ 469.22116 204.0
[M+H-H2O]+ 413.25526 193.8
[M+HCOO]- 475.25620 214.1
[M+CH3COO]- 489.27185 227.2
[M+Na-2H]- 451.23267 202.5
[M]+ 430.25745 201.0
[M]- 430.25855 201.0
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

patents stripe