CID 3046832

Brn 0861889

Structural Information

Molecular Formula
C22H25N5O2
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCN4C5=CC=CC=C5NC4=O
InChI
InChI=1S/C22H25N5O2/c28-21-23-17-6-1-3-8-19(17)26(21)13-5-12-25-14-10-16(11-15-25)27-20-9-4-2-7-18(20)24-22(27)29/h1-4,6-9,16H,5,10-15H2,(H,23,28)(H,24,29)
InChIKey
OBHDXMCUKJATHF-UHFFFAOYSA-N
Compound name
3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

391.20084 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20812 194.2
[M+Na]+ 414.19006 203.5
[M-H]- 390.19356 197.7
[M+NH4]+ 409.23466 202.7
[M+K]+ 430.16400 194.1
[M+H-H2O]+ 374.19810 182.9
[M+HCOO]- 436.19904 207.4
[M+CH3COO]- 450.21469 202.0
[M+Na-2H]- 412.17551 193.8
[M]+ 391.20029 193.3
[M]- 391.20139 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe