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]+ 375.181576 191.4
[M+Na]+ 397.163518 199.7
[M-H]- 373.167024 197.9
[M+NH4]+ 392.208123 203.0
[M+K]+ 413.137458 192.3
[M+H-H2O]+ 357.171560 179.9
[M+HCOO]- 419.172501 206.2
[M+CH3COO]- 433.188151 200.2
[M+Na-2H]- 395.148966 189.7
[M]+ 374.17375142 190.6
[M]- 374.17484858 190.6
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.