CID 3087636

1h-isoindole-1,3(2h)-dione, 2-(2-((1-piperidinyl)methyl)-1h-benzimidazol-2-ylmethyl)-

Structural Information

Molecular Formula
C22H22N4O2
SMILES
C1CCN(CC1)CN2C3=CC=CC=C3N=C2CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C22H22N4O2/c27-21-16-8-2-3-9-17(16)22(28)25(21)14-20-23-18-10-4-5-11-19(18)26(20)15-24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-15H2
InChIKey
NWYNGWBKQXQMLV-UHFFFAOYSA-N
Compound name
2-[[1-(piperidin-1-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1743 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18158 191.1
[M+Na]+ 397.16352 205.5
[M+NH4]+ 392.20812 198.3
[M+K]+ 413.13746 200.9
[M-H]- 373.16702 195.3
[M+Na-2H]- 395.14897 196.9
[M]+ 374.17375 194.2
[M]- 374.17485 194.2
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

No patent data available for this compound.