CID 3087637

1h-isoindole-1,3(2h)-dione, 2-((1-(4-morpholinylmethyl)-1h-benzimidazol-2-yl)methyl)-

Structural Information

Molecular Formula
C21H20N4O3
SMILES
C1COCCN1CN2C3=CC=CC=C3N=C2CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C21H20N4O3/c26-20-15-5-1-2-6-16(15)21(27)24(20)13-19-22-17-7-3-4-8-18(17)25(19)14-23-9-11-28-12-10-23/h1-8H,9-14H2
InChIKey
GXWOBEQLWGAAFU-UHFFFAOYSA-N
Compound name
2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.15353 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.160806 189.3
[M+Na]+ 399.142748 198.1
[M-H]- 375.146254 196.6
[M+NH4]+ 394.187353 199.5
[M+K]+ 415.116688 192.6
[M+H-H2O]+ 359.150790 178.4
[M+HCOO]- 421.151731 203.7
[M+CH3COO]- 435.167381 198.6
[M+Na-2H]- 397.128196 188.5
[M]+ 376.15298142 190.2
[M]- 376.15407858 190.2
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.